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Substance Name: N-Ethyl-N-tert-butylnitrosamine
RN: 3398-69-4
UNII: NK5OQV24RI
InChIKey: AEMBWNDIEFEPTH-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

  • N-Ethyl-N-tert-butylnitrosamine

Synonyms

  • Aethyl-t-butyl-nitrosoamin
  • Aethyl-t-butyl-nitrosoamin [German]
  • BRN 2074404
  • EBNA
  • Ethyl-t-butylnitrosoamine
  • Ethyl-tert-butylnitrosamine
  • N-(T-Butyl)-N-ethylnitrosamine
  • N-Nitroso-tert-butylethylamine
  • N-Nitrosoethyl-tert-butylamine
  • t-Butanamine, N-ethyl-N-nitroso-
  • UNII-NK5OQV24RI

Systematic Name

  • tert-Butylamine, N-ethyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 3398-69-4

FDA UNII

  • NK5OQV24RI

System Generated Number

  • 0003398694

Structure Descriptors

InChI

1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3

InChIKey

AEMBWNDIEFEPTH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1600mg/kg (1600mg/kg)   Naturwissenschaften. Vol. 50, Pg. 100, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.210 (none)   EST
Water Solubility 8420 mg/L 25 EST
Vapor Pressure 0.219 mm Hg 25 EST
Henry's Law Constant 6.39E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.36E-12 cm3/molecule-sec 25 EST

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