Consensus flow list

Identity

Type
Neutral molecule
CAS
21369-64-2
EC
404-950-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for N-hexyllithium

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CETVQRFGPOGIQJ-UHFFFAOYSA-N, RMKNFFPDYCVCDI-UHFFFAOYSA-N, UQWQCMSYGMAGKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;
IUPAC name chemrof:IUPAC_name 1-Hexyllithium
Molecular formula chemrof:molecular_formula C6H13Li, C6H14Li
SMILES string chemrof:smiles_string [Li][CH2]CCCCC

Known URLs

9

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=21369-64-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.655 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.128.946 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0074899 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J891.583K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2733163 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57451114 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5749096 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexyllithium enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
31304d6b-47f8-468b-8018-a1b48b7f2719 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
886ad0fe-8525-434d-a4c0-19c0b9f1e503 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aadbe8a5-76d2-48d5-b6ea-da74798bcd98 Environmental → Air → Indoor EF 3.1 kg 2
7a2013e5-8c48-43bd-9756-4bcfb3059541 Environmental → Air → Long-term EF 3.1 kg 0
66941f0e-bb1f-4818-bee9-c118b04100b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
508a8f80-03fc-408f-bf5a-27e46af6b704 Environmental → Air → Unknown EF 3.1 kg 2
68208038-742e-43f3-ba23-c61bb5f026e6 Environmental → Ground → Agricultural EF 3.1 kg 2
705fbd84-0dbb-4d93-8d80-762bb21580e8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
834c1712-4f96-4ee8-a554-e6c9f7579617 Environmental → Ground → Unknown EF 3.1 kg 2
2cf2f0e6-619b-4c6f-b536-9d9dcad1515d Environmental → Water → Long-term EF 3.1 kg 0
4e7990e6-7fb2-4bd3-b2dc-085e70055ee6 Environmental → Water → Ocean EF 3.1 kg 2
3a601a11-a85c-495a-8f5a-25a9f6402313 Environmental → Water → Surface water EF 3.1 kg 2
bf4610f3-e0cd-48df-9062-8a3bd159da93 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-7da606acbdda39ab",
  "prefLabel": [
    {
      "@value": "N-hexyllithium",
      "@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": "1-Hexyllithium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21369-64-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Lithiohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21369-64-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexane, lithium complex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexyllithium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lithium, hexyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    }
  ],
  "properties": {
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      "@value": [
        "C6H13Li",
        "C6H14Li"
      ],
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          "rdkit_post_consensus"
        ],
        "C6H14Li": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "CETVQRFGPOGIQJ-UHFFFAOYSA-N",
        "RMKNFFPDYCVCDI-UHFFFAOYSA-N",
        "UQWQCMSYGMAGKF-UHFFFAOYSA-N"
      ],
      "attested_by": {
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        "UQWQCMSYGMAGKF-UHFFFAOYSA-N": [
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        "RMKNFFPDYCVCDI-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "[Li][CH2]CCCCC": [
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        ]
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Li][CH2]CCCCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-Hexyllithium"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1-Hexyllithium"
        ]
      },
      "attested_by": {
        "1-Hexyllithium": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J891.583K",
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  "created_from": {
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    "seed_uuid": "2cf2f0e6-619b-4c6f-b536-9d9dcad1515d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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