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Triethylammonium

2D structure
Flow Object IDfo-f6e3745421d1a03e
TypeConsensus
prefLabel
Label Language
Triethylammonium en
Alt Labels
Label Language Provenance
N,N-diethylethanaminium en —
TEAH en —
TRIETHYLAMMONIUM ION en —
Triethylammonium cation en —
<em>N</em>,<em>N</em>,<em>N</em>-Triethylammonium cation en —
Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid en —
Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid (1:1) en —
Triethylamine, conjugate acid en —
Definitions
Language Value Provenance
en An organoammonium cation having three ethyl substituents on the nitrogen atom.
CAS Numbers 17440-81-2
Changes Applied2

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed Sourceecoinvent-3.12
Seed Flowda2f6f64-5027-4bb7-95fd-e77b8cb3759b

Properties

Predicate Value
Formal charge 1
InChIKey ZMANZCXQSJIPKH-UHFFFAOYSA-O
InChI InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3/p+1
Molecular formula C6H16N, C6H16N+
Molecular mass 102.201
Monoisotopic mass 102.127726, 102.12773
SMILES CC[NH+](CC)CC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
da2f6f64… ecoinvent-3.12 kg Environmental → Water → Unknown 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
da2f6f64… altLabel [{"@value":"N,N-diethylethanaminium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:N,N-diethylethanaminium","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"TEAH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:TEAH","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"TRIETHYLAMMONIUM ION","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:TRIETHYLAMMONIUM ION","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Triethylammonium cation","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Triethylammonium cation","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"N,N-diethylethanaminium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:N,N-diethylethanaminium","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"TEAH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:TEAH","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"TRIETHYLAMMONIUM ION","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:TRIETHYLAMMONIUM ION","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Triethylammonium cation","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Triethylammonium cation","http://purl.obolibrary.org/obo/CHEBI_45791","ecoinvent-3.12"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"<em>N</em>,<em>N</em>,<em>N</em>-Triethylammonium cation","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:17440-81-2","https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:17440-81-2","https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:17440-81-2","https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Triethylamine, conjugate acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:17440-81-2","https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=triethylammonium||dimension=Environmental > media=Water > water_body=Unknown; cas=17440-81-2; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>,<em>N</em>-Triethylammonium cation, Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid, Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid (1:1), Triethylamine, conjugate acid; object_uuid=fo-f6e3745421d1a03e
da2f6f64… cas_match_labels — {"17440-81-2":"exactMatch"} group_key=triethylammonium||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi']; cas_sources={'17440-81-2': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-f6e3745421d1a03e: {'17440-81-2': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-f6e3745421d1a03e",
  "prefLabel": [
    {
      "@value": "Triethylammonium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "N,N-diethylethanaminium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "TEAH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "TRIETHYLAMMONIUM ION",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Triethylammonium cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "<em>N</em>,<em>N</em>,<em>N</em>-Triethylammonium cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Ethanamine, <em>N</em>,<em>N</em>-diethyl-, conjugate acid (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Triethylamine, conjugate acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H16N",
        "C6H16N+"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[NH+](CC)CC"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC[NH+](CC)CC"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[NH+](CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3/p+1"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[NH+](CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZMANZCXQSJIPKH-UHFFFAOYSA-O"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[NH+](CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "102.201"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "102.127726",
        "102.12773"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[NH+](CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "1"
      ],
      "rdfs:label": "Formal charge",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    }
  },
  "references": [
    {
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    },
    {
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
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    },
    {
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        "prov:wasDerivedFrom": "chebi.id"
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    },
    {
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        ],
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      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "da2f6f64-5027-4bb7-95fd-e77b8cb3759b",
    "seed_source": "ecoinvent-3.12"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "17440-81-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=17440-81-2"
        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "skos:definition": [
    {
      "@value": "An organoammonium cation having three ethyl substituents on the nitrogen atom.",
      "@language": "en",
      "provenance": {
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}