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Substance Name: N-Nitroso-N-methylallylamine
RN: 4549-43-3
UNII: 7788P910NG
InChIKey: OWSNZTOUPZXKPJ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H8-N2-O

Molecular Weight

  • 100.12
 
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Names and Synonyms

Name of Substance

  • N-Nitroso-N-methylallylamine

Synonyms

  • 0-04-00-00218 (Beilstein Handbook Reference)
  • Allylmethylnitrosamine
  • BRN 1743212
  • Methylallylnitrosamin
  • Methylallylnitrosamin [German]
  • Methylallylnitrosamine
  • N-Methyl-N-nitroso-2-propen-1-amine
  • N-Methyl-N-nitrosoallylamine
  • N-Nitrosoallylmethylamine
  • N-Nitrosomethylallylamine
  • Nitrosomethylallylamine
  • UNII-7788P910NG

Systematic Names

  • 2-Propen-1-amine, N-methyl-N-nitroso- (9CI)
  • Allylamine, N-methyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 4549-43-3

FDA UNII

  • 7788P910NG

System Generated Number

  • 0004549433

Structure Descriptors

InChI

1S/C4H8N2O/c1-3-4-6(2)5-7/h3H,1,4H2,2H3

InChIKey

OWSNZTOUPZXKPJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 320mg/kg (320mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
rat LD50 oral 340mg/kg (340mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.210 (none)   EST
Water Solubility 7.78E+04 mg/L 25 EST
Vapor Pressure 0.603 mm Hg 25 EST
Henry's Law Constant 2.70E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.63E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.