← Back to consensus flow objects

4-nitropyridine

Flow Object IDfo-6fbcacccee1f1677
TypeConsensus
prefLabel
Label Language
4-nitropyridine en
CAS Numbers1122-61-8
Changes Applied13

Properties

Predicate Value
InChIKey FEXIEMAAKBNTFK-UHFFFAOYSA-N, ISEUFVQQFVOBCY-UHFFFAOYSA-N
InChI InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15), InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
IUPAC name 4-nitropyridine, 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine, 6-methoxy-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine, N2,N4-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine, isopropyl-[4-(isopropylamino)-6-methoxy-s-triazin-2-yl]amine
Molecular formula C10H19N5O, C5H4N2O2
SMILES C1=CN=CC=C1[N+](=O)[O-], CC(C)NC1=NC(=NC(=N1)OC)NC(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
e6698822… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
9c0a7694… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
9ca000b5… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
0c44a8c5… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
8b00c957… EF 3.1 kg Environmental → Air → Unknown 2 1
fd4929f9… EF 3.1 kg Environmental → Air → Unknown 2 1
d4ea9e4e… EF 3.1 kg Environmental → Ground → Agricultural 2 1
241cb913… EF 3.1 kg Environmental → Ground → Unknown 2 1
5ce41526… EF 3.1 kg Environmental → Water → Ocean 2 1
fbfeaeb3… EF 3.1 kg Environmental → Water → Surface water 2 1
6bfc5851… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0c44a8c5… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
241cb913… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
5ce41526… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
6bfc5851… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
8b00c957… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
8c40c3e2… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
9c0a7694… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
9ca000b5… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
d4ea9e4e… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
d8648b87… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
e6698822… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
fbfeaeb3… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}
fd4929f9… cas_match_labels — {"1122-61-8":"exactMatch"} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-6fbcacccee1f1677",
  "prefLabel": [
    {
      "@value": "4-nitropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H19N5O",
        "C5H4N2O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928",
          "CID:70734"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FEXIEMAAKBNTFK-UHFFFAOYSA-N",
        "ISEUFVQQFVOBCY-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928",
          "CID:70734"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CN=CC=C1[N+](=O)[O-]",
        "CC(C)NC1=NC(=NC(=N1)OC)NC(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928",
          "CID:70734"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",
        "InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928",
          "CID:70734"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-nitropyridine",
        "6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",
        "6-methoxy-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",
        "N2,N4-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine",
        "isopropyl-[4-(isopropylamino)-6-methoxy-s-triazin-2-yl]amine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928",
          "CID:70734"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J478.422G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.507I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.015.044",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.286.851",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1122-61-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1122-61-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1610-18-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2074453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6022341",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163048",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30350",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Prometon",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59D3DS58ZB",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DY7SQ0399L",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0246547",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0256804",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4928",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1122-61-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70734",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34934",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1486524",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4577515",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C14186",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55051",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72496022",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q7249739",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0c44a8c5-d229-41ca-b845-4728e84a8045",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1122-61-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1122-61-8"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1122-61-8"
        }
      ],
      "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
}