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Substance Name: N-Nitrosodiisobutylamine
RN: 997-95-5
UNII: 0T0982G912
InChIKey: XLZCLFRMPCBSDI-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C8-H18-N2-O

Molecular Weight

  • 158.243
 
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Names and Synonyms

Name of Substance

  • N-Nitrosodiisobutylamine

Synonyms

  • 2,2'-Dimethyldipropylnitrosoamine
  • 4-04-00-03390 (Beilstein Handbook Reference)
  • BRN 1760696
  • Di-iso-butylnitrosamine
  • Diisobutylamine, N-nitroso-
  • Diisobutylnitrosamine
  • Dmdpn
  • EINECS 213-644-4
  • N,N-Diisobutylnitrosamine
  • N-Nitroso-2,2'-dimethyldi-n-propylamine
  • N-Nitrosodi-iso-butylamine
  • N-Nitrosodiisobutylamine
  • Nitrosodiisobutylamine
  • NSC 134
  • UNII-0T0982G912

Systematic Names

  • 1-Propanamine, 2-methyl-N-(2-methylpropyl)-N-nitroso- (9CI)
  • Diisobutylnitrosoamine
  • Dipropylamine, 2,2'-dimethyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 997-95-5

FDA UNII

  • 0T0982G912

System Generated Number

  • 0000997955

Structure Descriptors

InChI

1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

XLZCLFRMPCBSDI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 5600mg/kg (5600mg/kg) BLOOD: OTHER CHANGES

BLOOD: HEMORRHAGE
Journal of the National Cancer Institute. Vol. 55, Pg. 1209, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.34 (none)   EXP
Water Solubility 700 mg/L 25 EST
Vapor Pressure 0.043 mm Hg 25 EST
Henry's Law Constant 1.13E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.68E-11 cm3/molecule-sec 25 EST

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