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Substance Name: N-Nitroso-N-butylurea
RN: 869-01-2
UNII: 77IB43T49K
InChIKey: LSWOCDLIYSKTRX-UHFFFAOYSA-N

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C5-H11-N3-O2

Molecular Weight

  • 145.1609
 
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Names and Synonyms

Name of Substance

  • N-Nitroso-N-butylurea
  • N-Nitrosobutylurea

Synonyms

  • 1-04-00-00372 (Beilstein Handbook Reference)
  • 1-Butyl-1-nitrosourea
  • 1-Butyl-nitrosourea
  • 1-Nitroso-1-butylurea
  • BNU
  • BRN 1768951
  • Butylnitrosoharnstoff
  • Butylnitrosoharnstoff [German]
  • Butylnitrosourea
  • CCRIS 110
  • HSDB 5121
  • N-Butyl-N-nitrosourea
  • n-Butylnitrosourea
  • N-N-Butyl-N-nitrosourea
  • N-Nitroso-N-butylurea
  • N-Nitrosobutylurea
  • Nitrosobutylurea
  • NSC 45639
  • UNII-77IB43T49K
  • Urea, 1-butyl-1-nitroso-
  • Urea, N-butyl-N-nitroso-

Systematic Names

  • N-Butyl-N-nitrosourea
  • Urea, 1-butyl-1-nitroso-
  • Urea, N-butyl-N-nitroso- (9CI)

Registry Numbers

CAS Registry Number

  • 869-01-2

FDA UNII

  • 77IB43T49K

System Generated Number

  • 0000869012

Structure Descriptors

InChI

1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)

InChIKey

LSWOCDLIYSKTRX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 400mg/kg (400mg/kg)   Proceedings of the International Symposium of the Princess Takamatsu Cancer Research Fund. Vol. 2, Pg. 73, 1972.
rat LD50 subcutaneous 1200mg/kg (1200mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 1.03E+04 mg/L 25 EST
Vapor Pressure 5.27E-03 mm Hg 25 EST
Henry's Law Constant 2.32E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.44E-12 cm3/molecule-sec 25 EST

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