Consensus flow list

Identity

Type
Neutral molecule
CAS
56358-09-9
EC
260-124-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(2-ethylhexyl)-1-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-1,2-dihydronaphthalen-1-amine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HQAXWOAOPDPYHY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H37N5/c1-5-7-13-25(6-2)22-33-31-19-17-26-14-9-10-15-28(26)32(31)37-36-30-20-18-27(21-24(30)4)34-35-29-16-11-8-12-23(29)3/h8-12,14-21,25,33H,5-7,13,22H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-Naphthalenamine, N-(2-ethylhexyl)-1-[2-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-
Molecular formula chemrof:molecular_formula C32H37N5
Molecular mass chemrof:molecular_mass 491.683
Monoisotopic mass chemrof:monoisotopic_mass 491.304896
SMILES string chemrof:smiles_string CCCCC(CC)CNc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2C)cc1C

Known URLs

5

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=56358-09-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70866554 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J296.644A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20841788 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q137939581 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
854f6725-d390-4368-919a-1388ca9fdd85 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7554d6d7-1afb-4a1c-a623-c9f472b55137 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0b55759f-ee40-427f-8d6e-f8ab4f1ab970 Environmental → Air → Indoor EF 3.1 kg 2
621861e5-d4b0-4710-b8fe-a35388daf0eb Environmental → Air → Long-term EF 3.1 kg 0
62b527b9-0f4c-4b25-8058-d62d31685704 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fd6a0a8e-8e60-49bd-ae61-30c2c0ab0a75 Environmental → Air → Unknown EF 3.1 kg 2
502e318f-6762-4339-ad24-8088c65b2da0 Environmental → Ground → Agricultural EF 3.1 kg 2
f2085f34-58e4-4e09-a3bd-4fbbcd4c0fdd Environmental → Ground → Non-agricultural EF 3.1 kg 2
9bda4666-793d-48d4-92a2-f206e17cdfe9 Environmental → Ground → Unknown EF 3.1 kg 2
f1cdeb2a-5622-4aaf-8fd8-de0dabdac089 Environmental → Water → Long-term EF 3.1 kg 0
d56f1543-5721-4bb0-9583-619590474a9a Environmental → Water → Ocean EF 3.1 kg 2
43478e9f-cca6-4609-a847-2c4561127560 Environmental → Water → Surface water EF 3.1 kg 2
0239311d-e779-4469-a65c-345c91d99d31 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-64f094bf28463d0d",
  "prefLabel": [
    {
      "@value": "N-(2-ethylhexyl)-1-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-1,2-dihydronaphthalen-1-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenamine, N-(2-ethylhexyl)-1-[2-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56358-09-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenamine, N-(2-ethylhexyl)-1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=56358-09-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Ethylhexyl)-1-[2-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-2-naphthalenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@value": [
        "C32H37N5"
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    "https://w3id.org/chemrof/IUPAC_name": {
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          ]
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      ],
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      },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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