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N-(1-cyanoethyl)formamide

fo-de915208e6c8371f

Identity

Type
Neutral molecule
CAS
27394-99-6
EC
248-440-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(1-cyanoethyl)formamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ONONIESHMTZAKB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)
IUPAC name chemrof:IUPAC_name N-(1-cyanoethyl)formamide
Molecular formula chemrof:molecular_formula C4H6N2O
Molecular mass chemrof:molecular_mass 98.105
Monoisotopic mass chemrof:monoisotopic_mass 98.048013
SMILES string chemrof:smiles_string CC(C#N)NC=O

Known URLs

6

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=27394-99-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.023 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80950079 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.505C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3015373 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82928053 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
44ba9631-dd3e-4736-8479-0e5e153fc052 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0712d390-d233-4e98-94b3-efe171a320d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dfa11f0c-acee-4740-b520-4c173a09b9ec Environmental → Air → Indoor EF 3.1 kg 2
b878bbe4-2259-4f62-89ed-f86d943d79de Environmental → Air → Long-term EF 3.1 kg 0
890f3a70-22d6-4632-878f-a861d56746ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
916c94c2-205d-4d5b-9445-3573713b0b27 Environmental → Air → Unknown EF 3.1 kg 2
83cb7bc0-b479-436d-82bb-de333c8e5583 Environmental → Ground → Agricultural EF 3.1 kg 2
4f90fc80-10e8-4622-a164-2e2c1411fa05 Environmental → Ground → Non-agricultural EF 3.1 kg 2
12909346-c698-4db4-874d-d2daf18dc25d Environmental → Ground → Unknown EF 3.1 kg 2
b901c6aa-01f5-4b51-9d9f-bf6d0ac37a28 Environmental → Water → Long-term EF 3.1 kg 0
c004b79c-1cae-4542-99ba-730664d22f88 Environmental → Water → Ocean EF 3.1 kg 2
ffffd80d-a4b4-4273-872f-ccfa53a574e6 Environmental → Water → Surface water EF 3.1 kg 2
9153b820-b774-4bb7-97c5-d0d156716257 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-de915208e6c8371f",
  "prefLabel": [
    {
      "@value": "N-(1-cyanoethyl)formamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "2-(Formylamino)propionitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formamide, N-(1-cyanoethyl)-",
      "@language": "en",
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      "provenance": {
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  "properties": {
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    },
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        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      ],
      "provenance": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
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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:wasGeneratedBy": "rdkit_pre_consensus",
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "98.048013": [
          "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=J250.505C",
      "provenance": {
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        ],
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    },
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      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82928053",
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        "prov:wasDerivedFrom": "pubchem.identifiers[27394-99-6]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0712d390-d233-4e98-94b3-efe171a320d1",
    "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",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "27394-99-6"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=27394-99-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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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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