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Substance Name: N-Nitrosoperhydroazepine
RN: 932-83-2
UNII: N67X53N3YT
InChIKey: UZMVSVHUTOAPTD-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C6-H12-N2-O

Molecular Weight

  • 128.174
 
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Names and Synonyms

Name of Substance

  • N-Nitrosoperhydroazepine

Synonyms

  • 5-20-04-00067 (Beilstein Handbook Reference)
  • BRN 1237798
  • CCRIS 468
  • EINECS 213-258-6
  • Hexahydro-1-nitroso-1H-azepine
  • N-6-MI
  • N-Nitrosoazacycloheptane
  • N-Nitrosohexahydroazepine
  • N-Nitrosohexamethyleneimine
  • N-Nitrosoperhydroazepine
  • Nitrosohexamethyleneimine
  • Nitrosohexamethylenimine
  • UNII-N67X53N3YT

Systematic Names

  • 1H-Azepine, hexahydro-1-nitroso-
  • Hexahydro-1-nitroso-1H-azepine
  • N-Nitrosohexamethylenimine

Registry Numbers

CAS Registry Number

  • 932-83-2

FDA UNII

  • N67X53N3YT

System Generated Number

  • 0000932832

Structure Descriptors

InChI

1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2

InChIKey

UZMVSVHUTOAPTD-UHFFFAOYSA-N

Smiles

N1(CCCCCC1)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 142mg/kg (142mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: "INFLAMMATION, NECROSIS, OR SCARRING OF BLADDER"

LIVER: OTHER CHANGES
Journal of the National Cancer Institute. Vol. 50, Pg. 323, 1973.
mouse LD50 subcutaneous 65mg/kg (65mg/kg) KIDNEY, URETER, AND BLADDER: CHANGES IN BLOOD VESSELS OR IN CIRCULATION OF KIDNEY

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LIVER: OTHER CHANGES
Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 78, Pg. 78, 1972.
rat LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Cancer Research. Vol. 28, Pg. 1217, 1968.
rat LD50 oral 336mg/kg (336mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Cancer Research. Vol. 28, Pg. 1217, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.92 (none)   EXP
Water Solubility 1.28E+04 mg/L 24 EXP
Vapor Pressure 0.045 mm Hg 25 EST
Henry's Law Constant 2.82E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.70E-11 cm3/molecule-sec 25 EST

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