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Substance Name: Propylnitrosourea
RN: 816-57-9
UNII: 240IS3J248
InChIKey: YGGSSUISOYLCBF-UHFFFAOYSA-N

Classification Codes

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

Molecular Formula

  • C4-H9-N3-O2

Molecular Weight

  • 131.1341
 
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Names and Synonyms

Name of Substance

  • Propylnitrosourea

Synonyms

  • 1-Nitroso-1-propylurea
  • 1-Propyl-1-nitrosourea
  • BRN 2354437
  • CCRIS 543
  • N-Nitrosopropylurea
  • n-Propylnitrosoharnstoff
  • N-Propylnitrosoharnstoff [German]
  • n-Propylnitrosoharnstoff [German]
  • N-Propylnitrosourea
  • Nitroso-n-propylurea
  • Nitrosopropylurea
  • NPU
  • NSC 46792
  • PNU
  • Propylnitrosourea
  • UNII-240IS3J248

Systematic Names

  • N-Propyl-N-nitrosourea
  • Urea, 1-nitroso-1-propyl- (8CI)
  • Urea, N-nitroso-N-propyl-

Registry Numbers

CAS Registry Number

  • 816-57-9

FDA UNII

  • 240IS3J248

System Generated Number

  • 0000816579

Structure Descriptors

InChI

1S/C4H9N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)

InChIKey

YGGSSUISOYLCBF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1375mg/kg (1375mg/kg)   Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 22(10), Pg. 72, 1976.
rat LD50 oral 480mg/kg (480mg/kg)   Archiv fuer Geschwulstforschung. Vol. 40, Pg. 99, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.3 (none)   EXP
Water Solubility 2470 mg/L 25 EST
Vapor Pressure 0.017 mm Hg 25 EST
Henry's Law Constant 1.75E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.03E-12 cm3/molecule-sec 25 EST

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