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1-ethylpiperazine

fo-95257bcc46c6af21

Identity

Type
Neutral molecule
CAS
5308-25-8
EC
226-166-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-ethylpiperazine

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WGCYRFWNGRMRJA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3
IUPAC name chemrof:IUPAC_name 1-ethylpiperazine
Molecular formula chemrof:molecular_formula C6H14N2
Molecular mass chemrof:molecular_mass 114.192
Monoisotopic mass chemrof:monoisotopic_mass 114.115698
SMILES string chemrof:smiles_string CCN1CCNCC1

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=5308-25-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.788 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8073346 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60707 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6W2BW0V73G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243876 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.490B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79196 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27265616 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
24d7f4de-7c49-4de6-a0d7-b6374e2c2e7b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b788bb10-6b1b-47d5-be3d-9a31932461a3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
27b5d3da-2532-486e-ac02-c95ba23de808 Environmental → Air → Indoor EF 3.1 kg 4
622cfc76-0615-4a00-aed4-61b265d86415 Environmental → Air → Long-term EF 3.1 kg 0
832a3086-7cb8-4220-acb8-69325fc3895e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6a472266-ae97-43ca-ba66-2a0080f3439e Environmental → Air → Unknown EF 3.1 kg 4
259fb5c9-0488-4dad-ab8e-dd2436242194 Environmental → Ground → Agricultural EF 3.1 kg 4
814b56ec-fa76-412f-b508-c72b65582ef1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b8bd4068-13e3-43dd-8c1d-caca305435e3 Environmental → Ground → Unknown EF 3.1 kg 4
0afccc14-ed52-4708-91aa-20fd56b5b3fa Environmental → Water → Long-term EF 3.1 kg 0
af686ef6-307d-48f3-bf01-0146cc115a1b Environmental → Water → Ocean EF 3.1 kg 4
e96af47c-2749-4210-907f-f3ba8fd93bd9 Environmental → Water → Surface water EF 3.1 kg 4
c5d69a7f-af3f-4448-a129-ba31b1020a6d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-95257bcc46c6af21",
  "prefLabel": [
    {
      "@value": "1-ethylpiperazine",
      "@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": "N-Ethylpiperazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5308-25-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5308-25-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperazine, 1-ethyl-",
      "@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=5308-25-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H14N2"
      ],
      "attested_by": {
        "C6H14N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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      "rdfs:label": "SMILES",
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      "provenance": [
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        },
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      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
        {
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-ethylpiperazine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1-ethylpiperazine"
        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "114.192": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN1CCNCC1"
          ]
        }
      ],
      "attested_by": {
        "114.115698": [
          "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=J208.490B",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5308-25-8]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[5308-25-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5308-25-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5308-25-8]"
      }
    },
    {
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    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[5308-25-8]"
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    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5308-25-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0afccc14-ed52-4708-91aa-20fd56b5b3fa",
    "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": [
        "5308-25-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5308-25-8"
      ],
      "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": [
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  ]
}

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