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Substance Name: Diethylamine, 1-methyl-N-nitroso-
RN: 16339-04-1
InChIKey: VGGZTNNNXAUZLB-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C5-H12-N2-O

Molecular Weight

  • 116.163
 
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Names and Synonyms

Synonyms

  • 0-04-00-00156 (Beilstein Handbook Reference)
  • 1-Methyl-N-nitrosodiethylamine
  • Aethyl-isopropyl-nitrosoamin
  • Aethyl-isopropyl-nitrosoamin [German]
  • BRN 1746696
  • Ethylisopropylnitrosoamine
  • N-Nitrosoethylisopropylamine

Systematic Names

  • 2-Propanamine, N-ethyl-N-nitroso- (9CI)
  • Diethylamine, 1-methyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 16339-04-1

System Generated Number

  • 0016339041

Structure Descriptors

InChI

1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3

InChIKey

VGGZTNNNXAUZLB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1100mg/kg (1100mg/kg)   Naturwissenschaften. Vol. 50, Pg. 100, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.9 (none)   EXP
Water Solubility 1.77E+04 mg/L 25 EST
Vapor Pressure 0.386 mm Hg 25 EST
Henry's Law Constant 4.81E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.72E-11 cm3/molecule-sec 25 EST

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