2-methylquinoline

2-Methylchinoline
Khinaldin
Quinaldine
Quinoline, 2-methyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	SMUQFGGVLNAIOZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
IUPAC name chemrof:IUPAC_name	2-methylquinoline
Molecular formula chemrof:molecular_formula	C10H9N
Molecular mass chemrof:molecular_mass	143.189
Monoisotopic mass chemrof:monoisotopic_mass	143.073499, 143.0735
SMILES string chemrof:smiles_string	Cc1ccc2ccccc2n1

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=91-63-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132813	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.896	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.167.210	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3040271	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3397	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194931	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DVG30M0M87	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0042004	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.343E	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49687	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7060	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020531	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/16406213	enrich_references.chebi_xrefs
reaxys	reaxys:110309	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q415376	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Quinaldine	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
3fe968d9-b56b-4070-bf00-1efedc89bbff	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
50ad55d3-03fc-4554-9c22-90219d069ab7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
1c96377d-f43d-4b5b-a1a2-2e6d25253fdc	Environmental → Air → Indoor	EF 3.1	kg	2
73f075a8-65e7-449a-96a5-e7205d72279e	Environmental → Air → Long-term	EF 3.1	kg	0
5ba2c712-c55f-452f-905f-4d87dd4c53fa	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
036fd5c0-2a20-4b4e-9da3-5df03f72d9be	Environmental → Air → Unknown	EF 3.1	kg	2
577d15b1-f9f5-4bcf-880c-793425d09068	Environmental → Ground → Agricultural	EF 3.1	kg	2
f4a4b007-c036-4c02-81b5-a1ed67197927	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e4b31f7c-3441-4e99-a330-daba16579866	Environmental → Ground → Unknown	EF 3.1	kg	2
e0f4c595-45d2-4483-9057-2a31760a6d7a	Environmental → Water → Long-term	EF 3.1	kg	0
08e66600-6f02-46b0-9718-a2c98596cbfe	Environmental → Water → Ocean	EF 3.1	kg	2
61e58a5e-056d-4e7a-b08d-bebf2f7b16b4	Environmental → Water → Surface water	EF 3.1	kg	2
a4f636cf-a995-488d-9017-878e833d33f8	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "91-63-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=91-63-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=91-63-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-085-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-085-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_132813"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-methylquinoline

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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