2-ethyl-n,n-bis(2-ethylhexyl)hexan-1-amine
fo-71f5af67ae52c572
Identity
- Type
- Neutral molecule
- CAS
- 1860-26-0
- EC
- 217-461-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-
- 2-Ethyl-N,N-bis(2-ethylhexyl)-1-hexanamine
- TEHA
- Tri(2-ethylhexyl)amine
- Trihexylamine, 2,2′,2′′-triethyl-
- Tris(2-ethylhexyl)amine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BZUDVELGTZDOIG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)- |
| Molecular formula chemrof:molecular_formula | C24H51N |
| Molecular mass chemrof:molecular_mass | 353.679 |
| Monoisotopic mass chemrof:monoisotopic_mass | 353.402151 |
| SMILES string chemrof:smiles_string | CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC |
Known URLs
7Where 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=1860-26-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.015.874 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID40862765 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OS816H2S39 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J199.675D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/102705 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27285809 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 73aa7194-31b6-43ff-b3d4-18cab454a84f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| da2023d0-0711-4b96-91c8-2adfb50effd2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 514bcf06-e551-4507-96eb-58db66208a1b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| db16804e-98f7-4671-8a27-c4719d925206 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6f1b3a74-9b8a-47ee-92c4-010f8170824b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 03e04626-a3ed-4a31-a18a-8c19c500030f | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0ad68bce-ce7d-40a1-9ce0-fa36a162d91b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 74265a6f-7435-4546-b0a3-53f1d21a98d2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e6b7f7bd-246e-47f5-b3e0-eb65131bffae | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f8086624-f429-405a-9891-411eb7426a1a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0c836f9f-87f9-400b-8095-aac0fb862222 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| cd219d9a-cb1e-46f3-908b-2c09bd7579c8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 65d589a1-8681-49f8-ae4d-e6b284330d89 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-71f5af67ae52c572",
"prefLabel": [
{
"@value": "2-ethyl-n,n-bis(2-ethylhexyl)hexan-1-amine",
"@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-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Ethyl-N,N-bis(2-ethylhexyl)-1-hexanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TEHA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tri(2-ethylhexyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trihexylamine, 2,2′,2′′-triethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tris(2-ethylhexyl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1860-26-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C24H51N"
],
"attested_by": {
"C24H51N": [
"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:102705"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BZUDVELGTZDOIG-UHFFFAOYSA-N"
],
"attested_by": {
"BZUDVELGTZDOIG-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:102705"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
],
"attested_by": {
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
],
"attested_by": {
"InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-"
]
},
"attested_by": {
"1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
353.679
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
],
"attested_by": {
"353.679": [
"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": [
353.402151
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC"
]
}
],
"attested_by": {
"353.402151": [
"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=J199.675D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1860-26-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.015.874",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1860-26-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1860-26-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1860-26-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID40862765",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1860-26-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OS816H2S39",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1860-26-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/102705",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1860-26-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27285809",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102705;CAS:1860-26-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1860-26-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "03e04626-a3ed-4a31-a18a-8c19c500030f",
"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": [
"1860-26-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1860-26-0"
}
],
"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": [
"217-461-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=217-461-0"
],
"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