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Substance Name: Diisopropylnitrosamine
RN: 601-77-4
UNII: AFI1E104OF
InChIKey: AUIKJTGFPFLMFP-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H14-N2-O

Molecular Weight

  • 130.19
 
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Names and Synonyms

Name of Substance

  • Diisopropylnitrosamine

Synonyms

  • 4-04-00-03388 (Beilstein Handbook Reference)
  • BRN 0635986
  • Diisopropyl-N-nitrosamine
  • Diisopropylamine, N-nitroso-
  • Diisopropylnitrosamin
  • Diisopropylnitrosamin [German]
  • Diisopropylnitrosamine
  • N-Nitrosodiisopropylamine
  • Nitrosodiisopropylamine
  • NSC 336
  • UNII-AFI1E104OF

Systematic Names

  • 2-Propanamine, N-(1-methylethyl)-N-nitroso- (9CI)
  • Diethylamine, 1,1'-dimethyl-N-nitroso- (9CI,7CI,8CI)
  • Diisopropylamine, N-nitroso-

Registry Numbers

CAS Registry Number

  • 601-77-4

FDA UNII

  • AFI1E104OF

System Generated Number

  • 0000601774

Structure Descriptors

InChI

1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3

InChIKey

AUIKJTGFPFLMFP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 850mg/kg (850mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48 deg C   EXP
Boiling Point 194.5 deg C   EXP
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 1.30E+04 mg/L 24 EXP
Vapor Pressure 0.266 mm Hg 25 EST
Henry's Law Constant 7.83E-06 atm-m3/mole 37 EXP
Atmospheric OH Rate Constant 3.68E-11 cm3/molecule-sec 25 EST

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