Consensus flow list

Identity

Type
Neutral molecule
CAS
684-93-5
EC
211-678-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for N-nitroso-n-methyl Urea

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZRKWMRDKSOPRRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
IUPAC name chemrof:IUPAC_name N-nitroso-n-methyl Urea
Molecular formula chemrof:molecular_formula C2H5N3O2
Molecular mass chemrof:molecular_mass 103.081
Monoisotopic mass chemrof:monoisotopic_mass 103.038176, 103.03818
SMILES string chemrof:smiles_string CN(N=O)C(N)=O

Known URLs

27

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
beilstein beilstein:1756040 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=684-93-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50102 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.618 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021006 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=23909 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL288958 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W8KW4E3XSU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255181 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.020A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14595 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14595 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52534 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C645 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12699 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11479921 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12767522 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15990165 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19181008 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24441676 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6243984 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8098217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8603364 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3023727 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N-Methyl-N-nitrosourea enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/N-Nitroso-N-methylurea enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172ab2e2-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d6a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
052f530f-3a71-4725-a9a2-93a33003a312 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d69-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d6b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d68-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d66-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-906d-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d67-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d6d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-906e-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d6c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-906c-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b7c683954d11ae2d",
  "prefLabel": [
    {
      "@value": "N-nitroso-n-methyl Urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(aminocarbonyl)-1-methyl-2-oxohydrazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-methyl-1-nitrosourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-nitroso-1-methylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_50102"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methylnitrosoharnstoff",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methylnitrosourea",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "methylnitrosouree",
      "@language": "en",
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    },
    {
      "@value": "MNU",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-methyl-N-nitrosocarbamide",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "N-Methyl-N-nitrosoharnstoff",
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      "provenance": {
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    },
    {
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    {
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    },
    {
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    },
    {
      "@value": "N-Nitroso-N-methylharnstoff",
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      "provenance": {
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      }
    },
    {
      "@value": "N-nitroso-N-methylurea",
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    },
    {
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    {
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    },
    {
      "@value": "Urea, 1-methyl-1-nitroso-",
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  "properties": {
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