Brightway Flows 1.0
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Diallylnitrosamine

fo-16f259299ac898da

Identity

Type
Neutral molecule
CAS
16338-97-9
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Diallylnitrosamine

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GRYFJBRXMFVEIL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2
IUPAC name chemrof:IUPAC_name 2-Propen-1-amine, N-nitroso-N-2-propen-1-yl-
Molecular formula chemrof:molecular_formula C6H10N2O
Molecular mass chemrof:molecular_mass 126.159
Monoisotopic mass chemrof:monoisotopic_mass 126.079313
SMILES string chemrof:smiles_string C=CCN(CC=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=16338-97-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020395 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37648 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164131 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QZ22XCT9RV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.572A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/27821 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63088177 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4c8d39-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-a2bf-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1f961329-2a84-44c7-8e24-72d650ca0a33 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-a2be-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a2c0-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-a2bd-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-a2bb-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9467-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-a2bc-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9465-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9468-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-a2c1-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
6f0dccaba44357d8a7a7b4500e2b95fa63c05e1e Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9466-0050c2490048 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-16f259299ac898da",
  "prefLabel": [
    {
      "@value": "Diallylnitrosamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propen-1-amine, N-nitroso-N-2-propen-1-yl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=16338-97-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propen-1-amine, N-nitroso-N-2-propenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diallylamine, N-nitroso-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Diallylnitrosamine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "N-Nitroso-N,N-diallylamine",
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    },
    {
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    },
    {
      "@value": "N-Nitrosodiallylamine",
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    },
    {
      "@value": "Nitrosamine, diallyl-",
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