Brightway Flows 1.0
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6,8-dimethylquinoline

fo-8b4bee98d843a7b0

Identity

Type
Neutral molecule
CAS
2436-93-3
EC
219-434-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6,8-dimethylquinoline

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RLZSSWLXBLSQKI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3
IUPAC name chemrof:IUPAC_name 6,8-dimethylquinoline
Molecular formula chemrof:molecular_formula C11H11N
Molecular mass chemrof:molecular_mass 157.216
Monoisotopic mass chemrof:monoisotopic_mass 157.089149
SMILES string chemrof:smiles_string Cc1cc(C)c2ncccc2c1

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=2436-93-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.668 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30870975 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.845K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75528 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82855124 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7f4cbd5e-8ebc-4f8e-8e1b-c1ed5cd33c06 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1f1d5495-6343-4ce0-a5f1-9f909cb37b0b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
28ee1bbc-c93e-42ee-8e7c-f3dca6f0b5e2 Environmental → Air → Indoor EF 3.1 kg 2
104af6f1-c07d-4f63-8083-3cb677f3c7a5 Environmental → Air → Long-term EF 3.1 kg 0
44a1c4dc-ff02-49ef-b6db-bfc212de3c95 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3d6a76c5-bd94-4ab9-b4d9-682d80582d25 Environmental → Air → Unknown EF 3.1 kg 2
da7536d1-674a-4d51-8832-b0f75bafaf12 Environmental → Ground → Agricultural EF 3.1 kg 2
f9751fd8-9373-4f95-9fc4-12e97a93fbce Environmental → Ground → Non-agricultural EF 3.1 kg 2
60790261-368f-490a-a256-8d0c209d5f66 Environmental → Ground → Unknown EF 3.1 kg 2
1ed71a9e-5709-4c87-9ac5-9c9f59da3dbb Environmental → Water → Long-term EF 3.1 kg 0
6c80d5c4-fcb4-486e-98d2-474bbc5db0c0 Environmental → Water → Ocean EF 3.1 kg 2
d13e17bc-8515-4462-99be-49bae342dea2 Environmental → Water → Surface water EF 3.1 kg 2
8a0ff150-38a0-457c-8834-d96d30a1a5a2 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-8b4bee98d843a7b0",
  "prefLabel": [
    {
      "@value": "6,8-dimethylquinoline",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "Quinoline, 6,8-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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    },
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      "provenance": {
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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          ]
        },
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          "prov:wasAttributedTo": "brightway-flows",
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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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      "rdfs:label": "Monoisotopic mass",
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.845K",
      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "104af6f1-c07d-4f63-8083-3cb677f3c7a5",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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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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