Consensus flow list

Identity

Type
Neutral molecule
CAS
35975-00-9
EC
252-822-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6-nitroquinolin-5-ylamine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TYBYHEXFKFLRFT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2
IUPAC name chemrof:IUPAC_name 6-nitroquinolin-5-ylamine
Molecular formula chemrof:molecular_formula C9H7N3O2
Molecular mass chemrof:molecular_mass 189.174
Monoisotopic mass chemrof:monoisotopic_mass 189.053826
SMILES string chemrof:smiles_string Nc1c([N+](=O)[O-])ccc2ncccc12

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=35975-00-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.006 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40189525 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J89.072C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118901 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72440160 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
71603b51-1cbf-4bb5-b5c2-918ddafc4535 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
65f19a81-4048-4e95-91f7-f16b50df5f96 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fb0912ec-3936-4a5b-8a9b-d28f19c055d5 Environmental → Air → Indoor EF 3.1 kg 2
23e46bb5-c348-440a-a9c4-301f1093fe67 Environmental → Air → Long-term EF 3.1 kg 0
cdb0f70f-b3f3-443d-ae5b-3f669f9b6a69 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c3b2d057-d95a-40b5-827b-1a50f534afa7 Environmental → Air → Unknown EF 3.1 kg 2
74f01800-d1f3-4671-ad1f-bb0d593da48e Environmental → Ground → Agricultural EF 3.1 kg 2
711f4a16-8253-450d-9b43-02bf87ec2135 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a2a9dda8-543e-4bfe-a432-ff30493973bd Environmental → Ground → Unknown EF 3.1 kg 2
d2bc101d-1f70-46aa-86cc-68acc2549c59 Environmental → Water → Long-term EF 3.1 kg 0
609e5e6a-df44-49f8-9dd4-2021717be9d2 Environmental → Water → Ocean EF 3.1 kg 2
74d52ba3-bc1a-4bc0-9e0f-4d12ef028cd6 Environmental → Water → Surface water EF 3.1 kg 2
d046ca8f-1a8c-4f79-957e-e1eb741cbdd8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dfacbdb57cd13689",
  "prefLabel": [
    {
      "@value": "6-nitroquinolin-5-ylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "5-Amino-6-nitroquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35975-00-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Quinolinamine, 6-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Nitro-5-quinolinamine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      ],
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      "rdfs:label": "Molecular formula",
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      ],
      "provenance": [
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      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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      },
      "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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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "189.053826": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "23e46bb5-c348-440a-a9c4-301f1093fe67",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
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  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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