Consensus flow list

Identity

Type
Neutral molecule
CAS
877-43-0
EC
212-891-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,6-dimethylquinoline

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JJPSZKIOGBRMHK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
IUPAC name chemrof:IUPAC_name 2,6-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 Cc1ccc2nc(C)ccc2c1

Known URLs

11

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=877-43-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.719 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044153 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1782 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194502 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KST0M1T4MB enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0302388 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.152H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=125729 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13414 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27282416 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d88225c1-46a4-418c-9826-b1f32bbf4b5c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
31294cd1-4086-4d07-b370-efe849426fbf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cfadd0c5-9d83-4b09-80bc-6f5d0c899ff3 Environmental → Air → Indoor EF 3.1 kg 2
e5ccf8df-9826-4941-b51b-3eba5a7f60ce Environmental → Air → Long-term EF 3.1 kg 0
c887273a-d336-4925-9bfd-13835332c780 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3e65535c-b963-408f-9848-edf799913c92 Environmental → Air → Unknown EF 3.1 kg 2
38c0e4c1-ae3f-4e55-8496-dca508b579fe Environmental → Ground → Agricultural EF 3.1 kg 2
e2674e76-b54f-4ec0-a95f-6aa0e94e5bd4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d1993b3f-7f27-4503-9248-3a9a3d9c7ae7 Environmental → Ground → Unknown EF 3.1 kg 2
328868a8-bf0b-48ba-ab98-d38d1b153b3e Environmental → Water → Long-term EF 3.1 kg 0
6339b961-35b5-49d9-bec4-620012f7a965 Environmental → Water → Ocean EF 3.1 kg 2
c8f627ba-3ace-4c94-995e-84a45d6fe064 Environmental → Water → Surface water EF 3.1 kg 2
6758abf6-9529-4dc2-bb39-10b630336fa4 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-70c93c7efc2f461f",
  "prefLabel": [
    {
      "@value": "2,6-dimethylquinoline",
      "@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": "6-Methylquinaldine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:877-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=877-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Toluquinaldine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:877-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=877-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinoline, 2,6-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:877-43-0",
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          "https://commonchemistry.cas.org/detail?cas_rn=877-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C11H11N"
      ],
      "attested_by": {
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        ]
      },
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      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "JJPSZKIOGBRMHK-UHFFFAOYSA-N"
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    },
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      "provenance": [
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      "provenance": [
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      "attested_by": {
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    },
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "Cc1ccc2nc(C)ccc2c1"
          ]
        }
      ],
      "attested_by": {
        "157.089149": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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    },
    {
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    },
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    {
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  "created_from": {
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    "seed_uuid": "31294cd1-4086-4d07-b370-efe849426fbf",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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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": [
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}

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