Consensus flow list

Identity

Type
Neutral molecule
CAS
12236-64-5
EC
235-464-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UHZVOVCIPHZPEI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)
IUPAC name chemrof:IUPAC_name N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide
Molecular formula chemrof:molecular_formula C26H20ClN5O4
Molecular mass chemrof:molecular_mass 501.93
Monoisotopic mass chemrof:monoisotopic_mass 501.120382
SMILES string chemrof:smiles_string CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1

Known URLs

6

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=12236-64-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.228 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4065288 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.905F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/82995 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81985316 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b1214054-751b-439d-85c5-8624d6970526 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9e955f68-9624-41e0-97ff-f31c26466d3f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9917e96a-1213-4acd-9258-a1b7224e7bea Environmental → Air → Indoor EF 3.1 kg 4
ffc6fed9-18af-45fd-87e3-2be29ea1e57b Environmental → Air → Long-term EF 3.1 kg 0
06400e08-e195-4fc6-a94d-09cdd70f6558 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fd47c175-6268-4af6-ba23-31c596f0e63b Environmental → Air → Unknown EF 3.1 kg 4
70f6ab66-ae05-4f48-a6bc-ca540ef35bc5 Environmental → Ground → Agricultural EF 3.1 kg 4
7a3b0b5a-465f-4c00-981a-43878e2ca84f Environmental → Ground → Non-agricultural EF 3.1 kg 4
fb9cace0-1225-4517-9124-916a0921b0d9 Environmental → Ground → Unknown EF 3.1 kg 4
027bbdaf-0c2a-4710-a9dd-6b9eabf1bb8f Environmental → Water → Long-term EF 3.1 kg 0
632302a1-3e61-4fe9-a3f3-fc7953993656 Environmental → Water → Ocean EF 3.1 kg 4
205d88c8-cee4-4bf4-8044-6adf2563f3fb Environmental → Water → Surface water EF 3.1 kg 4
3ab632e4-1eb7-4f08-a8f5-d8996f695e1e 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-4773c9b82519caaa",
  "prefLabel": [
    {
      "@value": "N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxy-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "2-Naphthanilide, 4′-acetamido-4-[(5-carbamoyl-2-chlorophenyl)azo]-3-hydroxy-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "C.I. Pigment Orange 38",
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    },
    {
      "@value": "Graphtol Red HFG",
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    {
      "@value": "N-[4-(Acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide",
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}

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