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Penta-2,4-dienenitrile

fo-ec3b9631cd142815

Identity

Type
Neutral molecule
CAS
1615-70-9
EC
216-566-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Penta-2,4-dienenitrile

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string STSRVFAXSLNLLI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H5N/c1-2-3-4-5-6/h2-4H,1H2
IUPAC name chemrof:IUPAC_name Penta-2,4-dienenitrile
Molecular formula chemrof:molecular_formula C5H5N
Molecular mass chemrof:molecular_mass 79.102
Monoisotopic mass chemrof:monoisotopic_mass 79.042199
SMILES string chemrof:smiles_string C=CC=CC#N

Known URLs

4

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=1615-70-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8075099 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74170 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126615929 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5e93b3c6-0163-4c92-a090-f830e0c3426d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1a98ed66-f16c-4abc-ab34-2b09fd3186b0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
680cb114-ff49-419b-8f6f-0311818784d7 Environmental → Air → Indoor EF 3.1 kg 2
34d318c8-28e2-4eca-8502-da3fe3defb6b Environmental → Air → Long-term EF 3.1 kg 0
510c7422-00c1-4f4b-85b5-49ec1311343c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
feba6125-8593-4bbe-9933-33ffce90ce5d Environmental → Air → Unknown EF 3.1 kg 2
77ffb4d9-dfc4-49b8-b477-4a74385975f1 Environmental → Ground → Agricultural EF 3.1 kg 2
3e588a6a-72ec-4750-9520-0b8f90f32b81 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cfb39c40-994c-44ae-8450-783e6f8e7e25 Environmental → Ground → Unknown EF 3.1 kg 2
1719828b-d306-4657-bf89-fb5a20673f92 Environmental → Water → Long-term EF 3.1 kg 0
1876d178-c205-4ef2-95ee-dd5e4b4135b9 Environmental → Water → Ocean EF 3.1 kg 2
2b16f550-1092-4660-bfa1-6a01f6835fd6 Environmental → Water → Surface water EF 3.1 kg 2
6d80cfaf-0474-465f-b5e2-dfdc1137b1ff Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ec3b9631cd142815",
  "prefLabel": [
    {
      "@value": "Penta-2,4-dienenitrile",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Butadiene, 1-cyano-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Cyano-1,3-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Cyanobutadiene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Pentadienenitrile",
      "@language": "en",
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      "provenance": {
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      }
    }
  ],
  "properties": {
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      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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      "rdfs:label": "SMILES",
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        {
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      ],
      "provenance": [
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        },
        {
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      "attested_by": {
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    },
    "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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      ],
      "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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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "79.042199": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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      "provenance": {
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1615-70-9]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1719828b-d306-4657-bf89-fb5a20673f92",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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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": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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