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Substance Name: 1H-Azonine, octahydro-1-nitroso-
RN: 20917-50-4
InChIKey: DTEBJZRWYBQINZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C8-H16-N2-O

Molecular Weight

  • 156.227
 
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Names and Synonyms

Synonyms

  • 5-20-04-00204 (Beilstein Handbook Reference)
  • BRN 1365390
  • N-Nitrosoazacyclononane
  • N-Nitrosooctamethyleneimine
  • Octahydro-1-nitroso-1H-azonine

Systematic Name

  • 1H-Azonine, octahydro-1-nitroso-

Registry Numbers

CAS Registry Number

  • 20917-50-4

System Generated Number

  • 0020917504

Structure Descriptors

InChI

1S/C8H16N2O/c11-9-10-7-5-3-1-2-4-6-8-10/h1-8H2

InChIKey

DTEBJZRWYBQINZ-UHFFFAOYSA-N

Smiles

N1(CCCCCCCC1)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 566mg/kg (566mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 130, Pg. 945, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.04 (none)   EXP
Water Solubility 1290 mg/L 25 EST
Vapor Pressure 7.30E-03 mm Hg 25 EST
Henry's Law Constant 4.97E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.98E-11 cm3/molecule-sec 25 EST

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