Consensus flow list

Identity

Type
Chemical salt
CAS
63450-43-1
EC
264-172-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium 4-amino-3-methylbenzenesulfonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CSUXUDMQKNKKJP-UHFFFAOYSA-N, RVSNUNNCRYLEEM-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 4-amino-3-methylbenzenesulfonate
Molecular formula chemrof:molecular_formula C7H8NNaO3S, C7H9NNaO3S
SMILES string chemrof:smiles_string Cc1cc(S(=O)(=O)[O-])ccc1N.[Na+]

Known URLs

2

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=63450-43-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87234554 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
32c4e726-b1eb-4a6a-a0bd-e4095e4263bb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9929a748-05df-487a-8ae5-cdbf18528934 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
66d5a813-db5f-44f5-b9b2-5d2e7c34ce0e Environmental → Air → Indoor EF 3.1 kg 2
9cf973ed-3d0c-45e1-bc6c-043f3184bcc5 Environmental → Air → Long-term EF 3.1 kg 0
a701f8b8-c844-4738-9395-4042094eaf17 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f660abb5-1af5-44ca-9046-2d021e4ceed4 Environmental → Air → Unknown EF 3.1 kg 2
e79240e4-9759-4e77-9316-d7c7a4394f47 Environmental → Ground → Agricultural EF 3.1 kg 2
f41044ab-9beb-4997-b290-5624b67893e7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a07a05fa-5079-464d-817d-c9f597928ec8 Environmental → Ground → Unknown EF 3.1 kg 2
d08e3f16-3a8b-4022-bbef-b3d1cc015a3a Environmental → Water → Long-term EF 3.1 kg 0
e2a3a07e-2481-4445-a1a5-8300279ba10e Environmental → Water → Ocean EF 3.1 kg 2
28304b27-c513-430c-9135-405e4f39dc09 Environmental → Water → Surface water EF 3.1 kg 2
66da6fef-0bcd-4737-bd8c-e2b3b192d52a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5511db17912c5674",
  "prefLabel": [
    {
      "@value": "Sodium 4-amino-3-methylbenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Amino-3-methylbenzenesulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63450-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C7H8NNaO3S",
        "C7H9NNaO3S"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "C7H8NNaO3S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:hadPrimarySource": [
            "Cc1cc(S(=O)(=O)[O-])ccc1N.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "Cc1cc(S(=O)(=O)[O-])ccc1N.[Na+]": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1"
      ],
      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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        ]
      },
      "attested_by": {
        "Sodium 4-amino-3-methylbenzenesulfonate": [
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        ]
      }
    }
  },
  "references": [
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[63450-43-1]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "28304b27-c513-430c-9135-405e4f39dc09",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
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        "63450-43-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63450-43-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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