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Nickel (2+) Disulfamate

fo-6bc2c6eb2b781877

Identity

Type
Chemical salt
CAS
13770-89-3
EC
237-396-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Nickel (2+) Disulfamate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KERTUBUCQCSNJU-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Nickel (2+) Disulfamate
Molecular formula chemrof:molecular_formula H4N2NiO6S2
Molecular mass chemrof:molecular_mass 155.788, 250.867
Monoisotopic mass chemrof:monoisotopic_mass 154.918707, 249.886421
SMILES string chemrof:smiles_string NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]

Known URLs

3

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=13770-89-3 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78888 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54611961 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
cfc2342a-93f3-4799-9f25-40e0de82ac80 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5d5fb590-2fc9-4176-9842-904d96c70627 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e7607e56-78c4-47a2-b201-a00a736ba0da Environmental → Air → Indoor EF 3.1 kg 4
61507c71-e396-4411-88d8-11970f238dc5 Environmental → Air → Long-term EF 3.1 kg 0
2c483182-968a-41b5-a4ec-e0089b8422d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c4fe6dce-946f-418b-b6f7-bf5db60ea7cd Environmental → Air → Unknown EF 3.1 kg 4
c00a2bb1-68e2-4515-9a37-9cbaaa68b1fe Environmental → Ground → Agricultural EF 3.1 kg 4
43ee2ad2-c837-4446-adb4-9498b05c9a5c Environmental → Ground → Non-agricultural EF 3.1 kg 4
f27eb88e-c490-48e4-9a7a-da2b84d105d4 Environmental → Ground → Unknown EF 3.1 kg 4
c7c5398e-de06-412b-a7bc-befee9199d34 Environmental → Water → Long-term EF 3.1 kg 0
6c606c2e-20ba-4a2b-9577-ec7be48f8001 Environmental → Water → Ocean EF 3.1 kg 4
52f6051e-750f-47fb-a5f5-a042166d34cf Environmental → Water → Surface water EF 3.1 kg 4
8c215c7a-facf-4ba6-9cfa-6eed3ec4f08c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6bc2c6eb2b781877",
  "prefLabel": [
    {
      "@value": "Nickel (2+) Disulfamate",
      "@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": "Melbright EF 2201",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13770-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel aminosulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13770-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel sulfamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13770-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel sulfamate (Ni(H2NSO3)2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13770-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel sulfamate (Ni(SO3NH2)2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfamic acid, nickel(2+) salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "H4N2NiO6S2"
      ],
      "attested_by": {
        "H4N2NiO6S2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KERTUBUCQCSNJU-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "KERTUBUCQCSNJU-UHFFFAOYSA-L": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Nickel (2+) Disulfamate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Nickel (2+) Disulfamate"
        ]
      },
      "attested_by": {
        "Nickel (2+) Disulfamate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        155.788,
        250.867
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)O.[Ni]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ],
      "attested_by": {
        "155.788": [
          "rdkit_pre_consensus"
        ],
        "250.867": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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        249.886421
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]"
          ]
        }
      ],
      "attested_by": {
        "154.918707": [
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        ],
        "249.886421": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:54611961;CAS:13770-89-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13770-89-3]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78888",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13770-89-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/54611961",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:54611961;CAS:13770-89-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13770-89-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2c483182-968a-41b5-a4ec-e0089b8422d7",
    "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": [
        "13770-89-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=13770-89-3"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "237-396-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=237-396-1"
      ],
      "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"
  ]
}

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