Consensus flow list

Identity

Type
Neutral molecule
CAS
611-34-7
EC
210-266-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 5-aminoquinoline

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XMIAFAKRAAMSGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
IUPAC name chemrof:IUPAC_name 5-aminoquinoline
Molecular formula chemrof:molecular_formula C9H8N2
Molecular mass chemrof:molecular_mass 144.177
Monoisotopic mass chemrof:monoisotopic_mass 144.068748
SMILES string chemrof:smiles_string Nc1cccc2ncccc12

Known URLs

10

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=611-34-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.334 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80209978 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27982 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL100194 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YYJ34Z13SH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.730H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11911 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=167236 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27294793 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
21179f67-e0cd-4b44-b9fd-56becc91f3bf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bde55f04-e4e8-40d1-8c36-2a7ad1180596 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2697aba7-915f-4de2-bd0e-ffbcf43605bd Environmental → Air → Indoor EF 3.1 kg 2
73ee5c1d-c2a6-43d5-954b-9d80df7310c5 Environmental → Air → Long-term EF 3.1 kg 0
c2c0e145-e436-457f-8a30-6f550b345c9b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
707b334b-0498-4468-8f98-3818b622813c Environmental → Air → Unknown EF 3.1 kg 2
f8205eaa-ebdc-4476-ad00-5e67c8628671 Environmental → Ground → Agricultural EF 3.1 kg 2
c8b899d4-5ff3-423e-b1d8-91c3d7655caa Environmental → Ground → Non-agricultural EF 3.1 kg 2
d3dbee13-58d9-4f77-b063-552f3930f553 Environmental → Ground → Unknown EF 3.1 kg 2
4c03e73e-b485-4026-a827-869666fc2aa8 Environmental → Water → Long-term EF 3.1 kg 0
708e59d5-bba6-4688-bb33-8de97eda252c Environmental → Water → Ocean EF 3.1 kg 2
4f7f4ed1-465c-4039-b47b-2dc6ba92de5e Environmental → Water → Surface water EF 3.1 kg 2
ebec9033-058c-42aa-aea5-8027dd63b95b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cde8dff28c9ea130",
  "prefLabel": [
    {
      "@value": "5-aminoquinoline",
      "@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": "(Quinolin-5-yl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:611-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=611-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Quinolinamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=611-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Quinolylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=611-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinolin-5-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=611-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinoline, 5-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
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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": {
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}

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