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N-methyl-N-nitrosobenzamide

fo-465964c4260ea8d2

Identity

Type
Neutral molecule
CAS
63412-06-6
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
62 across every transformer

Structure

Structure diagram for N-methyl-N-nitrosobenzamide

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SLTNUKIKMOOUID-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8N2O2/c1-10(9-12)8(11)7-5-3-2-4-6-7/h2-6H,1H3
IUPAC name chemrof:IUPAC_name N-methyl-N-nitrosobenzamide, Benzamide, N-methyl-N-nitroso-
Molecular formula chemrof:molecular_formula C8H8N2O2
Molecular mass chemrof:molecular_mass 164.164
Monoisotopic mass chemrof:monoisotopic_mass 164.058577
SMILES string chemrof:smiles_string CN(N=O)C(=O)c1ccccc1

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=63412-06-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020850 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76HK8JC49U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.524F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44486 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983628 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b205ea2d-0af4-4a1f-94a1-4864a4dffe0b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f9381f71-0d3e-4801-a9ea-99eb3541d171 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2ecbc995-6302-461c-9bfa-d482f6117d3c Environmental → Air → Indoor EF 3.1 kg 2
2b09ac18-7282-4ace-8434-8ca924c57007 Environmental → Air → Long-term EF 3.1 kg 0
1a721626-32db-407e-91fa-953623b22385 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6aeace78-ebf8-4f3f-a022-acdee8fe6e2a Environmental → Air → Unknown EF 3.1 kg 2
f333c265-6cf3-47b1-a57f-d55af4de13d5 Environmental → Ground → Agricultural EF 3.1 kg 2
7e38f4d7-7656-4b37-860e-fdfa5c981472 Environmental → Ground → Non-agricultural EF 3.1 kg 2
aa6699ad-1f7b-4d22-b6da-16f5304137d6 Environmental → Ground → Unknown EF 3.1 kg 2
cf884009-26aa-4387-a936-cce158334e7a Environmental → Water → Long-term EF 3.1 kg 0
dc8c487c-4a99-4a7e-8fc8-4f4730e3da89 Environmental → Water → Ocean EF 3.1 kg 2
bfbc055d-7c11-4958-93ec-c9ad97c0750b Environmental → Water → Surface water EF 3.1 kg 2
ba64b6e5-015d-4688-a934-3e145cc47fa1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (62 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-465964c4260ea8d2",
  "prefLabel": [
    {
      "@value": "N-methyl-N-nitrosobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzamide, N-methyl-N-nitroso-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C8H8N2O2"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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      },
      "rdfs:label": "InChIKey",
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        },
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        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
      "provenance": [
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        },
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          ]
        },
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          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        }
      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        {
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          ]
        }
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      "attested_by": {
        "InChI=1S/C8H8N2O2/c1-10(9-12)8(11)7-5-3-2-4-6-7/h2-6H,1H3": [
          "opsin_iupac",
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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        "Benzamide, N-methyl-N-nitroso-"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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          "Benzamide, N-methyl-N-nitroso-"
        ]
      },
      "attested_by": {
        "N-methyl-N-nitrosobenzamide": [
          "opsin_iupac"
        ],
        "Benzamide, N-methyl-N-nitroso-": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(N=O)C(=O)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "164.164": [
          "rdkit_post_consensus",
          "rdkit_pre_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": [
        164.058577
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C(=O)C1=CC=CC=C1)N=O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(N=O)C(=O)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "164.058577": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.524F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44486;CAS:63412-06-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63412-06-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=63412-06-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63412-06-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6020850",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[63412-06-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76HK8JC49U",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44486;CAS:63412-06-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63412-06-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/44486",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44486;CAS:63412-06-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[63412-06-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81983628",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44486;CAS:63412-06-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63412-06-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1a721626-32db-407e-91fa-953623b22385",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "63412-06-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63412-06-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=63412-06-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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