1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-
fo-1c5ea1388e5639f2
Identity
- Type
- Neutral molecule
- CAS
- 33329-35-0
- EC
- 251-459-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- 1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-
- 1,3-Propanediamine, N1,N1-bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-
- Jeffadd MW 760
- Jeffcat Z 80
- N,N-Bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-1,3-propanediamine
- N1,N1-Bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-1,3-propanediamine
- Polycat 34
- Tripropylamine, 3,3′,3′′-tris(dimethylamino)-
- Tris(N,N-dimethylaminopropyl)amine
- Tris[3-(Dimethylamino)propyl]amine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DTKANQSCBACEPK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl- |
| Molecular formula chemrof:molecular_formula | C15H36N4 |
| Molecular mass chemrof:molecular_mass | 272.481 |
| Monoisotopic mass chemrof:monoisotopic_mass | 272.293997 |
| SMILES string chemrof:smiles_string | CN(C)CCCN(CCCN(C)C)CCCN(C)C |
Known URLs
6Where 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=33329-35-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.046.766 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5052703 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.098J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/118456 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72445170 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 55fcff28-1029-4f39-9198-791baefe9b85 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cfe80991-2735-406a-8f70-998702bacad7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e29bd849-59db-4e91-a1dc-046628967368 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4cd6cfc0-32ac-4f15-b79e-a3effca845dc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 36fd3e96-6785-4e15-83ab-bbeb525795c5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c633e3f4-2a9f-4fae-906c-fc2f22d8494b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fdc242bf-da97-438d-92dc-8cbd60451d95 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 6498f77f-7b9f-4315-ac7b-54af21bd79c0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6d7a2ad0-d030-41b7-b920-d489a8b000c6 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d3fccb7c-e890-45ce-910e-4be5675b89c1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 358d4ccf-f4eb-4461-bdb9-b6f98f26341f | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 02177fc4-1a4a-494e-9309-44b7af282562 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d67f66e5-63b6-42cf-98ba-9c3decaf5fb1 | 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-1c5ea1388e5639f2",
"prefLabel": [
{
"@value": "1,3-propanediamine, N1,n1-bis(3-(dimethylamino)propyl)-n3,n3-dimethyl-",
"@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": "1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Propanediamine, N1,N1-bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Jeffadd MW 760",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Jeffcat Z 80",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-1,3-propanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N1,N1-Bis[3-(dimethylamino)propyl]-N3,N3-dimethyl-1,3-propanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Polycat 34",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tripropylamine, 3,3′,3′′-tris(dimethylamino)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tris(N,N-dimethylaminopropyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tris[3-(Dimethylamino)propyl]amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:33329-35-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H36N4"
],
"attested_by": {
"C15H36N4": [
"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:118456"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DTKANQSCBACEPK-UHFFFAOYSA-N"
],
"attested_by": {
"DTKANQSCBACEPK-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:118456"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
],
"attested_by": {
"CN(C)CCCN(CCCN(C)C)CCCN(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/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
],
"attested_by": {
"InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-"
]
},
"attested_by": {
"1,3-Propanediamine, N,N-bis[3-(dimethylamino)propyl]-N′,N′-dimethyl-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
272.481
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
],
"attested_by": {
"272.481": [
"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": [
272.293997
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)CCCN(CCCN(C)C)CCCN(C)C"
]
}
],
"attested_by": {
"272.293997": [
"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=J40.098J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118456;CAS:33329-35-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.046.766",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118456;CAS:33329-35-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"33329-35-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5052703",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118456;CAS:33329-35-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/118456",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118456;CAS:33329-35-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[33329-35-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72445170",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118456;CAS:33329-35-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[33329-35-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "02177fc4-1a4a-494e-9309-44b7af282562",
"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": [
"33329-35-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=33329-35-0"
}
],
"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": [
"251-459-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=251-459-0"
],
"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