Sodium M-(diethylamino)benzenesulphonate

Benzenesulfonic acid, 3-(diethylamino)-, sodium salt
Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)
Metanilic acid, N,N-diethyl-, sodium salt
Sodium N,N-diethylmetanilate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CBPZVSMXBHTBEV-UHFFFAOYSA-N, YERLJJDMKZJPBL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1
IUPAC name chemrof:IUPAC_name	Sodium M-(diethylamino)benzenesulphonate
Molecular formula chemrof:molecular_formula	C10H14NNaO3S, C10H15NNaO3S
SMILES string chemrof:smiles_string	CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]

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=5123-63-7	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/88363636	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
5af366af-4dbd-4fef-9acf-53b25e1588c6	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
42b882f5-d468-4573-aecb-4fdbcf9c845b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
824e15f1-1e95-46b4-9872-dc6b7b062b0e	Environmental → Air → Indoor	EF 3.1	kg	2
edc64e9d-9dfd-472c-8cdf-d8501d6a0b94	Environmental → Air → Long-term	EF 3.1	kg	0
e6c6e0ba-0341-4ab7-a3c3-d10cc27d5aa0	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
bee6c671-7559-48b8-bd71-10100c75604f	Environmental → Air → Unknown	EF 3.1	kg	2
869e9a51-9a5b-425a-ad64-6e712a91b09b	Environmental → Ground → Agricultural	EF 3.1	kg	2
3d0141d1-ae25-44b9-bed1-0ed5918d9313	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e87231d8-d3e9-4e73-8761-5b502e0ee34e	Environmental → Ground → Unknown	EF 3.1	kg	2
2bc9b6e1-8fe0-4883-8c68-04be52a6e448	Environmental → Water → Long-term	EF 3.1	kg	0
28e458b6-ec22-47b3-8095-3f1fc73def57	Environmental → Water → Ocean	EF 3.1	kg	2
73bfc62c-1360-414e-8592-a04a5646f244	Environmental → Water → Surface water	EF 3.1	kg	2
aaa2b778-7a2e-48ef-bf33-7d9c56d8b974	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a4458cde0a3c9301",
  "prefLabel": [
    {
      "@value": "Sodium M-(diethylamino)benzenesulphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, 3-(diethylamino)-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5123-63-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5123-63-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metanilic acid, N,N-diethyl-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5123-63-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium N,N-diethylmetanilate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5123-63-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H14NNaO3S",
        "C10H15NNaO3S"
      ],
      "attested_by": {
        "C10H15NNaO3S": [
          "enrich_references.pubchem_semantic"
        ],
        "C10H14NNaO3S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:88363636"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CBPZVSMXBHTBEV-UHFFFAOYSA-N",
        "YERLJJDMKZJPBL-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "CBPZVSMXBHTBEV-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "YERLJJDMKZJPBL-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:88363636"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium M-(diethylamino)benzenesulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium M-(diethylamino)benzenesulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN(CC)c1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium M-(diethylamino)benzenesulphonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium M-(diethylamino)benzenesulphonate"
        ]
      },
      "attested_by": {
        "Sodium M-(diethylamino)benzenesulphonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:88363636;CAS:5123-63-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5123-63-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88363636",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:88363636;CAS:5123-63-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5123-63-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "28e458b6-ec22-47b3-8095-3f1fc73def57",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5123-63-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5123-63-7"
        }
      ],
      "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": [
        "225-861-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=225-861-1"
      ],
      "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/ChemicalSalt"
  ]
}

Sodium M-(diethylamino)benzenesulphonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard