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N-propyl-n-nitrosourea

fo-1deed23b3c238422

Identity

Type
Neutral molecule
CAS
816-57-9
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-propyl-n-nitrosourea

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YGGSSUISOYLCBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H9N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)
IUPAC name chemrof:IUPAC_name 1-n-Propyl-1-nitrosourea
Molecular formula chemrof:molecular_formula C4H9N3O2
Molecular mass chemrof:molecular_mass 131.135
Monoisotopic mass chemrof:monoisotopic_mass 131.069477
SMILES string chemrof:smiles_string CCCN(N=O)C(N)=O

Known URLs

8

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=816-57-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021204 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46792 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/240IS3J248 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255236 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.332D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13157 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983741 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172ad9ec-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9562-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
15f1fe90-5faf-4f69-8aca-d3c4b02a81a7 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9561-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9563-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9560-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-955e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9567-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-955f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9565-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9568-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9564-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
66840bc495fe67baf30e0c31b82b42827d21f978 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9566-0050c2490048 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-1deed23b3c238422",
  "prefLabel": [
    {
      "@value": "N-propyl-n-nitrosourea",
      "@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-n-Propyl-1-nitrosourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:816-57-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=816-57-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nitroso-1-propylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:816-57-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=816-57-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propyl-1-nitrosourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=816-57-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(n-Propyl)-N-nitrosourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Nitroso-N-propylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "NPU",
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      }
    },
    {
      "@value": "Urea, 1-nitroso-1-propyl-",
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    },
    {
      "@value": "Urea, N-nitroso-N-propyl-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrosourea, N-propyl-N-",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
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  },
  "references": [
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}

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