Bis(2-ethylhexyl)amine
fo-65d8807b9e2bbdab
Identity
- Type
- Neutral molecule
- CAS
- 106-20-7
- EC
- 203-372-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-
- 2,2′-Diethyldihexylamine
- 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine
- 2-ethyl-n-(2-ethylhexyl)hexan-1-amine
- Di(2-ethylhexyl)amine
- Dihexylamine, 2,2′-diethyl-
- N,N-Bis(2-ethylhexyl)amine
- N,N-Di(2-ethylhexyl)amine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SAIKULLUBZKPDA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Bis(2-ethylhexyl)amine |
| Molecular formula chemrof:molecular_formula | C16H35N |
| Molecular mass chemrof:molecular_mass | 241.463 |
| Monoisotopic mass chemrof:monoisotopic_mass | 241.27695 |
| SMILES string chemrof:smiles_string | CCCCC(CC)CNCC(CC)CCCC |
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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=106-20-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27214-52-4 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193588 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.067 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.923 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.21427437.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7025053 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5329 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1330355 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9U5Q5UV6DB | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.961G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7791 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2735 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q26840939 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3c9db35f-6a3c-46d7-9588-d59cfb127850 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 930b026b-6791-4c8c-bf68-0b2ef0482200 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a28dcfd6-ea3b-4add-bbaa-7c43f215305c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| af41cde9-f437-4bae-9721-3d684436ee4e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6768e681-d48b-470e-a48c-682b7a2ffbe4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 60a43527-cd38-4b64-844f-1b93eab4fedc | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 3889264f-4b14-47a6-bf00-dc610b92de17 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 885d8cef-e53f-44dd-8b45-db4dc5168203 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c6482850-137f-47fb-92c6-8b13dd9e6ee7 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 01309449-247f-4d50-ba30-7a000b965750 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8a1122a6-32c0-4dd7-b79f-5482678aeb22 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b7a10642-132e-43c0-b5db-b4271a5af747 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 27d387d7-d900-4607-bdc6-22684af60eab | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"106-20-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=106-20-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=106-20-7"
}
],
"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": [
"203-372-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=203-372-4"
],
"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