Pentamethyldiethylenetriamine
fo-f5926b4a1d2357e6
Identity
- Type
- Neutral molecule
- CAS
- 3030-47-5
- EC
- 221-201-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
41- (2-[[2-(Dimethylamino)ethyl](methyl)amino]ethyl)dimethylamine
- 1,1,4,7,7-Pentamethyl-1,4,7-triazaheptane
- 1,1,4,7,7-pentamethyldiethylenetriamine
- 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N′,N′-trimethyl-
- 1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-
- 2,2'-(methylazanediyl)bis(N,N-dimethylethanamine)
- 2,5,8-trimethyl-2,5,8-triazanonane
- bis(2-dimethylaminoethyl)(methyl)amine
- Bis[2-(dimethylamino)ethyl]methylamine
- Dabco PMDETA
- Desmorapid PV
- Diethylenetriamine, 1,1,4,7,7-pentamethyl-
- Jeffcat PMDETA
- Kaolizer 3
- Lupragen N 301
- N,N',N''-pentamethyldiethylenetriamine
- N,N,N',N'',N''-pentamethyldiethylenetriamine
- N,N,N',N',N''-pentamethyldiethylenetriamine
- N,N,N′,N′,N′′-Pentamethylbis(2-aminoethyl)amine
- N,N,N′,N′′,N′′-Pentamethyl-3-azapentane-1,5-diamine
- N,N,N′,N′′,N′′-Pentamethylbis(2-aminoethyl)amine
- N,N,N′,N′′,N′′-Pentamethyldiethylenetriamine
- N,N-Bis(2-dimethylaminoethyl)methanamine
- N,N-Bis[2-(dimethylamino)ethyl]methylamine
- N-(2-(dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethanediamine
- N-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine
- N-[2-(Dimethylamino)ethyl]-N,N′,N′-trimethyl-1,2-ethanediamine
- N-Methyl-N,N-bis(2-dimethylaminoethyl)amine
- N1,N1,N3,N5,N5-Pentamethyl-3-azapentane-1,5-diamine
- N1-[2-(Dimethylamino)ethyl]-N1,N2,N2-trimethyl-1,2-ethanediamine
- Niax C 5
- Niax Catalyst C 5
- PC CAT PMDETA
- PMDETA
- pmdien
- PMDT
- PMDTA
- Polycat 5
- Tegoamin PMDETA
- Toyocat DT
- Wanamine PMDETA
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UKODFQOELJFMII-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | Pentamethyldiethylenetriamine |
| Molecular formula chemrof:molecular_formula | C9H23N3 |
| Molecular mass chemrof:molecular_mass | 173.304 |
| Monoisotopic mass chemrof:monoisotopic_mass | 173.189198, 173.1892 |
| SMILES string chemrof:smiles_string | CN(C)CCN(C)CCN(C)C |
Known URLs
14Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:1741396 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3030-47-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39475 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.275 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7029249 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65659 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183641 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:27747 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3274UTY3HL | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.928G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56319 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/18196 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q965311 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/PMDTA | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 96937cf7-e652-47b4-ae59-7c9ce43360c4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d30f6a89-06d7-4101-a999-fdd84611de2c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 752c2c0f-a957-4c51-b5ea-083cc552176d | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| df5ec029-6a3b-4f98-a628-ab6392f5f806 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cbbbe06f-1de5-49c1-8b2e-b79d668cfbab | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fcfc693d-a2e5-4020-9e50-93ee3b898abe | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| cfa8cbe7-6dd2-4c1d-9a3e-06b11eab1a3f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 693170e6-b8e8-4eef-9371-f407640fe37f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5e941426-099c-4716-8c61-988205614138 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3fdc1d69-144f-43d8-b626-91832e6cd39b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4621d91a-6e21-4d77-9036-855819e41ab9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9eee47d4-d4d1-4a1b-a2d9-afe4c35a8d49 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c5772002-99f0-449e-a650-98e7742b6677 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f5926b4a1d2357e6",
"prefLabel": [
{
"@value": "Pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"altLabel": [
{
"@value": "(2-[[2-(Dimethylamino)ethyl](methyl)amino]ethyl)dimethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1,4,7,7-Pentamethyl-1,4,7-triazaheptane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1,4,7,7-pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N′,N′-trimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2'-(methylazanediyl)bis(N,N-dimethylethanamine)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,5,8-trimethyl-2,5,8-triazanonane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "bis(2-dimethylaminoethyl)(methyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Bis[2-(dimethylamino)ethyl]methylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dabco PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Desmorapid PV",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethylenetriamine, 1,1,4,7,7-pentamethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Jeffcat PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kaolizer 3",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lupragen N 301",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N',N''-pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N,N,N',N'',N''-pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N,N,N',N',N''-pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N,N,N′,N′,N′′-Pentamethylbis(2-aminoethyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N,N′,N′′,N′′-Pentamethyl-3-azapentane-1,5-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N,N′,N′′,N′′-Pentamethylbis(2-aminoethyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N,N′,N′′,N′′-Pentamethyldiethylenetriamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Bis(2-dimethylaminoethyl)methanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Bis[2-(dimethylamino)ethyl]methylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-(dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N-[2-(dimethylamino)ethyl]-n,n',n'-trimethylethane-1,2-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "N-[2-(Dimethylamino)ethyl]-N,N′,N′-trimethyl-1,2-ethanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Methyl-N,N-bis(2-dimethylaminoethyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1,N1,N3,N5,N5-Pentamethyl-3-azapentane-1,5-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1-[2-(Dimethylamino)ethyl]-N1,N2,N2-trimethyl-1,2-ethanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Niax C 5",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Niax Catalyst C 5",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PC CAT PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "pmdien",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "PMDT",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "PMDTA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Polycat 5",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tegoamin PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Toyocat DT",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Wanamine PMDETA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3030-47-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H23N3"
],
"attested_by": {
"C9H23N3": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CN(C)CCN(C)CCN(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Pentamethyldiethylenetriamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
],
"attested_by": {
"CN(C)CCN(C)CCN(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Pentamethyldiethylenetriamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
],
"attested_by": {
"InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UKODFQOELJFMII-UHFFFAOYSA-N"
],
"attested_by": {
"UKODFQOELJFMII-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
173.304
],
"attested_by": {
"173.304": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
173.189198,
173.1892
],
"attested_by": {
"173.1892": [
"enrich_references.chebi_semantic"
],
"173.189198": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCN(C)CCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Pentamethyldiethylenetriamine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Pentamethyldiethylenetriamine"
]
},
"attested_by": {
"Pentamethyldiethylenetriamine": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "beilstein:1741396",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "gmelin:27747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.928G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.019.275",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3030-47-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7029249",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65659",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/PMDTA",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3274UTY3HL",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18196",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3030-47-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39475",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39475"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183641",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56319",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q965311",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18196;CAS:3030-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3030-47-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "3fdc1d69-144f-43d8-b626-91832e6cd39b",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"3030-47-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3030-47-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"221-201-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=221-201-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works