5-amino-2-[(4-aminophenyl)amino]benzenesulfonic Acid

4,4′-Diamino-2-sulfodiphenylamine
4,4′-Diaminodiphenylamine-2-sulfonic acid
4-(p-Aminoanilino)-3-sulfo-1-aminobenzene
4-(p-Aminoanilino)-3-sulfoaniline
5-Amino-2-(4-aminophenylamino)benzenesulfonic acid
5-Amino-2-(p-aminoanilino)benzenesulfonic acid
6-(p-Aminoanilino)metanilic acid
Benzenesulfonic acid, 5-amino-2-(p-aminoanilino)-
Benzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-
MAC 0021939

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VKURVCNKVWKGLX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)
IUPAC name chemrof:IUPAC_name	5-amino-2-[(4-aminophenyl)amino]benzenesulfonic Acid
Molecular formula chemrof:molecular_formula	C12H13N3O3S
Molecular mass chemrof:molecular_mass	279.321
Monoisotopic mass chemrof:monoisotopic_mass	279.067762
SMILES string chemrof:smiles_string	Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1

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=119-70-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.950	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.097.772	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1059492	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4706	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5622	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL560968	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7B2AG5D9PQ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J64.444G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/67070	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72437784	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c3944fb6-a5e2-4115-aca2-33f39e6f6bf2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
7cfc7c98-d22b-4a0e-8e7c-e92cb0b60816	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5cd9107c-338f-47a0-b064-bf145ff058f1	Environmental → Air → Indoor	EF 3.1	kg	2
9a92e8d9-f0dd-4b08-a3cb-b873cdd17948	Environmental → Air → Long-term	EF 3.1	kg	0
4ff126e3-b518-4587-a301-9a45d0aa95c6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
1445172a-52d0-4da0-9d13-a7ef5cdbdf54	Environmental → Air → Unknown	EF 3.1	kg	2
3c5349c6-6083-43de-b738-32537e6a155f	Environmental → Ground → Agricultural	EF 3.1	kg	2
191979a6-ca72-4379-8716-c938a4f20df3	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
bfa29348-96da-4df8-a3e7-5358d0991a89	Environmental → Ground → Unknown	EF 3.1	kg	2
517333e4-a5a7-4055-b7a9-d6b2b49e2dba	Environmental → Water → Long-term	EF 3.1	kg	0
fd0d7424-37c9-411d-9926-8acfe23d51cc	Environmental → Water → Ocean	EF 3.1	kg	2
ac9fe349-8891-432b-8e9d-431a003194e4	Environmental → Water → Surface water	EF 3.1	kg	2
0f8dfbc4-eba7-437e-8707-b5943b044778	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

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": [
        "119-70-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=119-70-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=119-70-0"
        }
      ],
      "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": [
        "204-344-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-344-4"
      ],
      "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"
  ]
}

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

5-amino-2-[(4-aminophenyl)amino]benzenesulfonic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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