Consensus flow list

Identity

Type
Neutral molecule
CAS
101-96-2
EC
202-992-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-di-sec-butylbenzene-1,4-diamine

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FSWDLYNGJBGFJH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,4-Benzenediamine, N,N′-bis(1-methylpropyl)-
Molecular formula chemrof:molecular_formula C14H24N2
Molecular mass chemrof:molecular_mass 220.36
Monoisotopic mass chemrof:monoisotopic_mass 220.193949
SMILES string chemrof:smiles_string CCC(C)Nc1ccc(NC(C)CC)cc1

Known URLs

10

Where 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=101-96-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.721 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7024956 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=68417 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1409985 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76251WU9I2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.256D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7589 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1760 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q6951318 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a15ad681-e528-44b8-bcd8-0c2ac003db9d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
23746f2c-5e60-4087-b36e-a2825df8d507 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c6aaf14e-a363-4884-8a89-dde043849908 Environmental → Air → Indoor EF 3.1 kg 4
f4f53fb2-8d7e-41b7-880c-514facd68eb6 Environmental → Air → Long-term EF 3.1 kg 0
1c8ff56f-e9c3-41d8-8e60-bbd81ead33e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
21bc4f8a-53c4-4bdb-8cdf-c99a697961b2 Environmental → Air → Unknown EF 3.1 kg 4
fb636138-070b-41f3-bfc3-eea34815e347 Environmental → Ground → Agricultural EF 3.1 kg 4
acd7498a-66a2-48c4-b719-e4daad108d57 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ee391c35-eaa1-43c7-a95b-a1ce606128b4 Environmental → Ground → Unknown EF 3.1 kg 4
e38f99a4-9b1c-423d-b759-4d1e50a9341e Environmental → Water → Long-term EF 3.1 kg 0
d9b33356-bec9-4022-97ba-21837ccd03bc Environmental → Water → Ocean EF 3.1 kg 4
3b6dd136-b6e5-4133-b4fa-b4d434d022d7 Environmental → Water → Surface water EF 3.1 kg 4
43b3c843-5d65-4a41-917f-ea998d35098d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0cc6f0a1f4b0b2af",
  "prefLabel": [
    {
      "@value": "N,n'-di-sec-butylbenzene-1,4-diamine",
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      "@lang": "en",
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      }
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  ],
  "altLabel": [
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      }
    },
    {
      "@value": "1,4-Benzenediamine, N1,N4-bis(1-methylpropyl)-",
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      }
    },
    {
      "@value": "1,4-Bis-(sec-butylamino)benzene",
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    },
    {
      "@value": "1-N,4-N-Di(butan-2-yl)benzene-1,4-diamine",
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    },
    {
      "@value": "Antioxidant 22",
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    },
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      "@value": "Antioxidant 44PD",
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      "@value": "Cerobit BPD",
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    {
      "@value": "Du Pont Gasoline Antioxidant No. 22",
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      "@value": "Kerobit BPD",
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    },
    {
      "@value": "N,N′-Bis(1-methylpropyl)-1,4-benzenediamine",
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      }
    },
    {
      "@value": "N,N′-Di-2-butyl-1,4-phenylenediamine",
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      "@value": "N,N′-Di-2-butyl-p-phenylenediamine",
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    },
    {
      "@value": "N,N′-Di-sec-butyl-1,4-phenylenediamine",
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    },
    {
      "@value": "N,N′-Di-sec-butyl-n-phenylenediamine",
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      }
    },
    {
      "@value": "N,N′-Di-sec-butyl-p-phenyldiamine",
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    {
      "@value": "N,N′-Di-sec-butyl-p-phenylenediamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1,N4-Bis(1-methylpropyl)-1,4-benzenediamine",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "p-Phenylenediamine, N,N′-di-sec-butyl-",
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    },
    {
      "@value": "Santoflex 44",
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    {
      "@value": "Santoflex 44PD",
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    },
    {
      "@value": "Sumilizer BPA",
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    },
    {
      "@value": "Sumilizer BPAM 1",
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    },
    {
      "@value": "Tenamene 2",
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    },
    {
      "@value": "Topanol M",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C14H24N2"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FSWDLYNGJBGFJH-UHFFFAOYSA-N"
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      "rdfs:label": "Molecular mass",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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