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Substance Name: Diallylnitrosamine
RN: 16338-97-9
InChIKey: GRYFJBRXMFVEIL-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H10-N2-O

Molecular Weight

  • 126.158
 
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Names and Synonyms

Name of Substance

  • Diallylnitrosamine

Synonyms

  • BRN 1922991
  • CCRIS 6153
  • Diallylnitrosamin
  • Diallylnitrosamin [German]
  • Diallylnitrosamine
  • N-Diallylnitrosamine
  • N-Diallynitrosamine
  • N-Nitroso-N,N-diallylamine
  • N-Nitrosodiallyl amine
  • N-Nitrosodiallylamine
  • Nitrosodiallyamine
  • NSC 37648

Systematic Names

  • 2-Propen-1-amine, N-nitroso-N-2-propenyl- (9CI)
  • Diallylamine, N-nitroso-
  • Diallylnitrosamine

Registry Numbers

CAS Registry Number

  • 16338-97-9

System Generated Number

  • 0016338979

Structure Descriptors

InChI

1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2

InChIKey

GRYFJBRXMFVEIL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 1230mg/kg (1230mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the National Cancer Institute. Vol. 59, Pg. 1569, 1977.
rat LD50 oral 800mg/kg (800mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.050 (none)   EST
Water Solubility 1.20E+04 mg/L 25 EST
Vapor Pressure 0.100 mm Hg 25 EST
Henry's Law Constant 3.55E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-11 cm3/molecule-sec 25 EST

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