N-hexyllithium

1-Hexyllithium
1-Lithiohexane
Hexane, lithium complex
Hexyllithium
Lithium, hexyl-

Property	Value
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

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	https://www.wikidata.org/wiki/Q5749096	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Hexyllithium	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

Open the changes page

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",
        "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": "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": "Lithium, hexyl-",
      "@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"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H13Li",
        "C6H14Li"
      ],
      "attested_by": {
        "C6H13Li": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C6H14Li": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2733163",
            "CID:57451114"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Li][CH2]CCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CETVQRFGPOGIQJ-UHFFFAOYSA-N",
        "RMKNFFPDYCVCDI-UHFFFAOYSA-N",
        "UQWQCMSYGMAGKF-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "CETVQRFGPOGIQJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "UQWQCMSYGMAGKF-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "RMKNFFPDYCVCDI-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2733163",
            "CID:57451114"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Li][CH2]CCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[Li][CH2]CCCCC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-Hexyllithium"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Li][CH2]CCCCC"
          ]
        }
      ],
      "attested_by": {
        "[Li][CH2]CCCCC": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "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",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-Hexyllithium"
          ]
        },
        {
          "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": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J891.583K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.100.655",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.128.946",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "21369-64-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0074899",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Hexyllithium",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2733163",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[21369-64-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57451114",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57451114;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[21369-64-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q5749096",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2733163;CAS:21369-64-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21369-64-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2cf2f0e6-619b-4c6f-b536-9d9dcad1515d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "21369-64-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=21369-64-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "404-950-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=404-950-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@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

N-hexyllithium

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard