Consensus flow list

Identity

Type
Neutral molecule
CAS
580-17-6
EC
209-455-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 3-Aminoquinoline

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SVNCRRZKBNSMIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
IUPAC name chemrof:IUPAC_name 3-Aminoquinoline
Molecular formula chemrof:molecular_formula C9H8N2
Molecular mass chemrof:molecular_mass 144.177
Monoisotopic mass chemrof:monoisotopic_mass 144.068748, 144.06875
SMILES string chemrof:smiles_string Nc1cnc2ccccc2c1

Known URLs

13

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=580-17-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:166512 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.597 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10897.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8060379 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7934 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL80298 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/98OVL5K3R4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.195E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71507 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:4FS enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11375 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272135 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
69b91121-1541-4a2e-8876-6ecff257bf7b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9d930d00-cc72-4849-a7fc-0f2ea89b91ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
29d87f57-4561-4826-a905-8a822b1edff7 Environmental → Air → Indoor EF 3.1 kg 2
1cef6e50-e6e8-41e8-9d29-bd74fed375d3 Environmental → Air → Long-term EF 3.1 kg 0
8967d76d-1350-4b1e-908e-6d6541c572ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bd12467d-1f66-4889-8e50-6f495f6c768c Environmental → Air → Unknown EF 3.1 kg 2
72b16aa6-0106-4fd4-8ad5-f505874996bd Environmental → Ground → Agricultural EF 3.1 kg 2
cbd5a0a4-26c4-4cf9-9a6d-392a874cc747 Environmental → Ground → Non-agricultural EF 3.1 kg 2
13d63e0c-233f-4779-812a-ec477c9f87f6 Environmental → Ground → Unknown EF 3.1 kg 2
8afdbf3e-3227-44fb-964e-587e64c7125d Environmental → Water → Long-term EF 3.1 kg 0
39706407-e07f-4650-a253-3e47b3a77887 Environmental → Water → Ocean EF 3.1 kg 2
7f76ba18-7432-4578-9c95-4e8cc96613cc Environmental → Water → Surface water EF 3.1 kg 2
c372c394-3844-4c6f-a6bb-662005101ee0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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