4-(1,1,3,3-tetramethylbutyl)-n-[4-(1,1,3,3-tetramethylbutyl)phenyl]aniline
fo-c53dee1e2946b809
Identity
- Type
- Neutral molecule
- CAS
- 15721-78-5
- EC
- 239-816-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
13- 4,4′-Di-tert-octyldiphenylamine
- 4-(1,1,3,3-Tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]benzenamine
- Benzenamine, 4-(1,1,3,3-tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]-
- Bis(4-(2,4,4-trimethylpentan-2-yl)phenyl)amine
- Bis(4-tert-octylphenyl)amine
- Bis(p-tert-octylphenyl)amine
- Bis-[4-(1,1,3,3-tetramethyl-butyl)-phenyl]-amine
- Diphenylamine, 4,4′-bis(1,1,3,3-tetramethylbutyl)-
- Irganox LO 1
- N,N-Bis(4-tert-octylphenyl)amine
- p,p′-Di-tert-octyldiphenylamine
- Permanox OD
- Vanlube 81
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GQBHYWDCHSZDQU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3 |
| IUPAC name chemrof:IUPAC_name | 4-(1,1,3,3-Tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]benzenamine |
| Molecular formula chemrof:molecular_formula | C28H43N |
| Molecular mass chemrof:molecular_mass | 393.659 |
| Monoisotopic mass chemrof:monoisotopic_mass | 393.33955 |
| SMILES string chemrof:smiles_string | CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 |
Known URLs
8Where 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=15721-78-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.036.182 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3029310 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187713 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NF06JO4WIX | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J248.745D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/85069 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27284833 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a93a8783-f059-4ead-be82-12b6acb6df7a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| d6ddd4b5-e742-428b-b256-d5ab8c3ee73f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cf70ae44-5f28-4d13-ba39-7d6eedf97653 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f699e024-c3c0-422f-bb0a-38989c5f2f0d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| da3cf777-7ec5-44f0-b22b-bd32a05fa8ed | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 79183c14-5a0f-4f8e-8ff4-dbca6dae65e5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 464cfe01-5c91-427f-87e6-0a57c59105e5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 71223c34-2226-4488-86f0-af6ff048bb54 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 772a73da-21a3-438e-8fdb-191d5737dee5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 231e9726-26f5-4c58-8b84-0d53cac8d4e7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c0c31956-b8f5-4e08-af77-54b3d0b7e64c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7806177f-fcb1-45c7-a46b-4ed6ff45a8be | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2fe70f01-29c7-4caf-8707-e630f10046c2 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"15721-78-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=15721-78-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15721-78-5"
}
],
"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": [
"239-816-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=239-816-9"
],
"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