ChEBI


  5  4  0  0  0  0  0  0  0  0  1 V2000
   20.4305  -10.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2786  -10.2600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1268  -10.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1268  -12.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9750  -10.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
> <ID>
CHEBI:35807

> <NAME>
N-nitrosodimethylamine

> <STAR>
3

> <SECONDARY_ID>
CHEBI:34874; CHEBI:21778

> <SYNONYM>
N-Nitrosodimethylamine; N-Nitrosodimethylamine; N,N-Dimethylnitrosamine; DMN; Dimethylnitrosoamine; Dimethylnitrosamine; 1,1-Dimethyl-2-oxohydrazine

> <IUPAC_NAME>
N-methyl-N-nitrosomethanamine

> <FORMULA>
C2H6N2O

> <MASS>
74.08192

> <MONOISOTOPIC_MASS>
74.04801

> <CHARGE>
0

> <SMILES>
CN(C)N=O

> <INCHI>
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3

> <INCHIKEY>
UMFJAHHVKNCGLG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
62-75-9

> <CHEMIDPLUS>
62-75-9

> <KEGG_COMPOUND_ACCESSION>
C14704

> <METACYC_ACCESSION>
CPD-18996

> <NIST_CHEMISTRY_WEBBOOK>
62-75-9

> <WIKIPEDIA_ACCESSION>
N-Nitrosodimethylamine

> <PUBMED_CITATION>
10688537; 15647563; 15672376; 16640298; 25556763; 32836149; 33849366; 34247699; 34546846; 8318659; 8951235

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