3-aminopropyldimethylamine
fo-7b95cb216d37fbb7
Identity
- Type
- Neutral molecule
- CAS
- 109-55-7
- EC
- 203-680-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
32- (3-Aminopropyl)dimethylamine
- (3-Dimethylaminopropan-1-yl)amine
- 1,3-Propanediamine, N,N-dimethyl-
- 1,3-Propanediamine, N1,N1-dimethyl-
- 1-(Dimethylamino)-3-aminopropane
- 1-Amino-3-(dimethylamino)propane
- 3-(Dimethylamino)-1-aminopropane
- 3-(Dimethylamino)-1-propanamine
- 3-(Dimethylamino)-1-propylamine
- 3-(Dimethylamino)propanamine
- 3-(Dimethylamino)propylamine
- 3-(N,N-Dimethylamino)-1-propylamine
- 3-Amino-1-(dimethylamino)propane
- 3-N,N-Dimethylaminopropylamine
- Dimethylaminopropylamine
- DMAPA
- N,N-Dimethyl-1,3-diaminopropane
- N,N-Dimethyl-1,3-propanediamine
- N,N-Dimethyl-1,3-propylenediamine
- N,N-Dimethyl-3-aminopropylamine
- N,N-Dimethyl-N-(3-aminopropyl)amine
- N,N-Dimethylaminopropyl-1-amine
- N,N-Dimethylpropylenediamine
- N,N-Dimethyltrimethylenediamine
- N-(3-Dimethylaminopropyl)amine
- N-Aminopropyl-N,N-dimethylamine
- N1,N1-Dimethyl-1,3-propanediamine
- N1,N1-Dimethylpropan-1,3-diamine
- N1,N1-Dimethylpropane-1,3-diamine
- N′,N′-Dimethylpropane-1,3-diamine
- U-CAT 2000
- γ-Dimethylaminopropylamine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IUNMPGNGSSIWFP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 3-aminopropyldimethylamine |
| Molecular formula chemrof:molecular_formula | C5H14N2 |
| Molecular mass chemrof:molecular_mass | 102.181 |
| Monoisotopic mass chemrof:monoisotopic_mass | 102.115698 |
| SMILES string chemrof:smiles_string | CN(C)CCCN |
Known URLs
13Where 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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=109-55-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.347 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1227 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5025102 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1067 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232234 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I98I2UEC03 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.732F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7993 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2734 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1661327 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q5277328 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dimethylaminopropylamine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5eba9930-65b6-4ae1-a651-4c4af0a0db3d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 93eb6ddf-145e-4616-a821-ae7ff99d12e8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f55ca617-c896-468e-b106-085748c610de | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 36cb98e1-d5e6-4bea-8ef6-0b40e92d3e47 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 03fa97c9-79a7-4562-9403-7d62723f6541 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 84ba6e66-e338-40ae-adcc-ccf03cfd1fe9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 575532c9-e0ce-40fb-bfae-a39bfa8dd88e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a950dd76-6a6e-4edc-b5b4-6943efca8b40 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 80b638cf-cf98-44d6-b34c-a75b5d68328d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fad47e32-b9d5-4f34-9801-1ef2734c0325 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8ac14d67-574c-444a-805f-0e642b92b1ef | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 79d23623-3901-4c1d-81b8-2689abe8865d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 73133938-5260-4e7a-921a-cb7bf614c167 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-7b95cb216d37fbb7",
"prefLabel": [
{
"@value": "3-aminopropyldimethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(3-Aminopropyl)dimethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3-Dimethylaminopropan-1-yl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Propanediamine, N,N-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Propanediamine, N1,N1-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(Dimethylamino)-3-aminopropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Amino-3-(dimethylamino)propane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Dimethylamino)-1-aminopropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Dimethylamino)-1-propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Dimethylamino)-1-propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Dimethylamino)propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Dimethylamino)propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(N,N-Dimethylamino)-1-propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Amino-1-(dimethylamino)propane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-N,N-Dimethylaminopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylaminopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DMAPA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyl-1,3-diaminopropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyl-1,3-propanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyl-1,3-propylenediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyl-3-aminopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyl-N-(3-aminopropyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethylaminopropyl-1-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethylpropylenediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethyltrimethylenediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(3-Dimethylaminopropyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Aminopropyl-N,N-dimethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1,N1-Dimethyl-1,3-propanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1,N1-Dimethylpropan-1,3-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1,N1-Dimethylpropane-1,3-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N′,N′-Dimethylpropane-1,3-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "U-CAT 2000",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "γ-Dimethylaminopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:109-55-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5H14N2"
],
"attested_by": {
"C5H14N2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IUNMPGNGSSIWFP-UHFFFAOYSA-N"
],
"attested_by": {
"IUNMPGNGSSIWFP-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CN(C)CCCN"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-aminopropyldimethylamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
],
"attested_by": {
"CN(C)CCCN": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-aminopropyldimethylamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
],
"attested_by": {
"InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-aminopropyldimethylamine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-aminopropyldimethylamine"
]
},
"attested_by": {
"3-aminopropyldimethylamine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
102.181
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
],
"attested_by": {
"102.181": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
102.115698
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN"
]
}
],
"attested_by": {
"102.115698": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.732F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.003.347",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1227",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=109-55-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"109-55-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5025102",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1067",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Dimethylaminopropylamine",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I98I2UEC03",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7993",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[109-55-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2734",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1661327",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232234",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q5277328",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7993;CAS:109-55-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-55-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "03fa97c9-79a7-4562-9403-7d62723f6541",
"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": [
"109-55-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=109-55-7"
}
],
"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": [
"203-680-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=203-680-9"
],
"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