Consensus flow list

Identity

Type
Neutral molecule
CAS
438056-69-0
EC
610-147-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-(4-aminophenyl)morpholin-3-one

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MHCRLDZZHOVFEE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
IUPAC name chemrof:IUPAC_name 4-(4-aminophenyl)morpholin-3-one
Molecular formula chemrof:molecular_formula C10H12N2O2
Molecular mass chemrof:molecular_mass 192.218
Monoisotopic mass chemrof:monoisotopic_mass 192.089878
SMILES string chemrof:smiles_string Nc1ccc(N2CCOCC2=O)cc1

Known URLs

7

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=438056-69-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.984 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90458314 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H6N2PY6WST enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.551.238C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11194854 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72440723 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
903f7b32-9f10-4173-a0e3-db3e376ff23a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6b6054ce-bb49-4679-83c0-e9fa9bcbaf3f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e31eefc-3ce6-469e-8560-81fbd634bd0d Environmental → Air → Indoor EF 3.1 kg 4
6f6d7b6f-1f5d-4970-8a33-f95c881a7cc4 Environmental → Air → Long-term EF 3.1 kg 0
39f9b3c9-fdb9-42da-a8c2-d690f0cf47c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d26a4323-53f5-4182-813c-a2f62d0d080e Environmental → Air → Unknown EF 3.1 kg 4
0e839bac-5cab-401b-804a-ef6cc2eff589 Environmental → Ground → Agricultural EF 3.1 kg 4
17330f81-b19d-4ad4-8a25-fb3e1589375f Environmental → Ground → Non-agricultural EF 3.1 kg 4
20b2528a-0ca8-4e16-a561-efbec7af0c0a Environmental → Ground → Unknown EF 3.1 kg 4
ded3b31a-6661-4cb6-8eb2-c00b33807226 Environmental → Water → Long-term EF 3.1 kg 0
a78ccd60-b9bb-4a74-99f0-d5e02188755e Environmental → Water → Ocean EF 3.1 kg 4
15158179-e22f-44c1-a9a9-1c4df24a3c4b Environmental → Water → Surface water EF 3.1 kg 4
4e421bb0-21ad-4f1d-ac22-1fe2ef96b14f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8fa4411c056f4406",
  "prefLabel": [
    {
      "@value": "4-(4-aminophenyl)morpholin-3-one",
      "@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": "3-Morpholinone, 4-(4-aminophenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:438056-69-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(3-Oxo-4-morpholinyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:438056-69-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(4-Aminophenyl)-3-morpholinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:438056-69-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-4-Aminophenylmorpholin-3-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:438056-69-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H12N2O2"
      ],
      "attested_by": {
        "C10H12N2O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11194854"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MHCRLDZZHOVFEE-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "MHCRLDZZHOVFEE-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11194854"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1ccc(N2CCOCC2=O)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-(4-aminophenyl)morpholin-3-one"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ],
      "attested_by": {
        "Nc1ccc(N2CCOCC2=O)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-(4-aminophenyl)morpholin-3-one"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-(4-aminophenyl)morpholin-3-one"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-(4-aminophenyl)morpholin-3-one"
        ]
      },
      "attested_by": {
        "4-(4-aminophenyl)morpholin-3-one": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        192.218
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1COCC(=O)N1C2=CC=C(C=C2)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ],
      "attested_by": {
        "192.218": [
          "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": [
        192.089878
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1COCC(=O)N1C2=CC=C(C=C2)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc(N2CCOCC2=O)cc1"
          ]
        }
      ],
      "attested_by": {
        "192.089878": [
          "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=J2.551.238C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.117.984",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90458314",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H6N2PY6WST",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11194854",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[438056-69-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72440723",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11194854;CAS:438056-69-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[438056-69-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0e839bac-5cab-401b-804a-ef6cc2eff589",
    "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": [
        "438056-69-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=438056-69-0"
        }
      ],
      "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": [
        "610-147-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=610-147-8"
      ],
      "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"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.