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Substance Name: 2-Pentanone, 4-methyl-4-(N-nitrosomethylamino)-
RN: 16339-21-2
InChIKey: BUFWFGAUZTUMMV-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C7-H14-N2-O2

Molecular Weight

  • 158.2
 
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Names and Synonyms

Synonyms

  • 2-Methylnitrosamino-2-methylpentanon(4)
  • 2-Methylnitrosamino-2-methylpentanon(4) [German]
  • 3-04-00-00894 (Beilstein Handbook Reference)
  • 4-Methyl-4-(N-nitrosomethylamino)-2-pentanone
  • BRN 1765427
  • Methyl-1,1-dimethylbutanon(3)-nitrosamin
  • Methyl-1,1-dimethylbutanon(3)-nitrosamin [German]

Systematic Name

  • 2-Pentanone, 4-methyl-4-(N-nitrosomethylamino)-

Registry Numbers

CAS Registry Number

  • 16339-21-2

System Generated Number

  • 0016339212

Structure Descriptors

InChI

1S/C7H14N2O2/c1-6(10)5-7(2,3)9(4)8-11/h5H2,1-4H3

InChIKey

BUFWFGAUZTUMMV-UHFFFAOYSA-N

Smiles

C(N(N=O)C)(CC(=O)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2100mg/kg (2100mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.