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Substance Name: N-Ethyl-N-butylnitrosamine
RN: 4549-44-4
UNII: 8K383MZ3XR
InChIKey: ZGMCNGHHUQZNIH-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-butylnitrosamine

Synonyms

  • Aethyl-n-butyl-nitrosoamin
  • Aethyl-n-butyl-nitrosoamin [German]
  • BRN 2204437
  • Butanamine, N-ethyl-N-nitroso-
  • Butylethylnitrosamin
  • Butylethylnitrosamin [Czech]
  • CCRIS 301
  • Ethyl-n-butylnitrosamine
  • N-Butyl-N-ethylnitrosamine
  • N-Ethyl-N-nitrosobutylamine
  • N-Nitroso-n-butylethylamine
  • N-Nitrosoethyl-n-butylamine
  • Nitrosoethylbutylamine
  • NSC 135
  • UNII-8K383MZ3XR

Systematic Names

  • 1-Butanamine, N-ethyl-N-nitroso- (9CI)
  • Butylamine, N-ethyl-N-nitroso-
  • N-Ethyl-N-nitrosobutylamine

Registry Numbers

CAS Registry Number

  • 4549-44-4

FDA UNII

  • 8K383MZ3XR

System Generated Number

  • 0004549444

Structure Descriptors

InChI

1S/C6H14N2O/c1-3-5-6-8(4-2)7-9/h3-6H2,1-2H3

InChIKey

ZGMCNGHHUQZNIH-UHFFFAOYSA-N

Smiles

N(CCCC)(CC)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 380mg/kg (380mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
rat LD50 oral 380mg/kg (380mg/kg)   Naturwissenschaften. Vol. 50, Pg. 100, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.63 (none)   EXP
Water Solubility 1.20E+04 mg/L 24 EXP
Vapor Pressure 0.087 mm Hg 25 EST
Henry's Law Constant 6.39E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.23E-11 cm3/molecule-sec 25 EST

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