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Substance Name: 3,4-Dibromonitrosopiperidine
RN: 57541-73-8
InChIKey: MKHXETBKLZIQOV-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C5-H8-Br2-N2-O

Molecular Weight

  • 271.939
 
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Names and Synonyms

Name of Substance

  • 3,4-Dibromonitrosopiperidine

Synonyms

  • 3,4-Dibromo-N-nitrosopiperidine
  • 3,4-Dibromonitrosopiperidine
  • N-Nitroso-3,4-dibromopiperidine

Systematic Names

  • N-Nitroso-3,4-dibromopiperidine
  • Piperidine, 3,4-dibromo-1-nitroso-

Registry Numbers

CAS Registry Number

  • 57541-73-8

System Generated Number

  • 0057541738

Structure Descriptors

InChI

1S/C5H8Br2N2O/c6-4-1-2-9(8-10)3-5(4)7/h4-5H,1-3H2

InChIKey

MKHXETBKLZIQOV-UHFFFAOYSA-N

Smiles

O=NN1C[C@@H](Br)[C@@H](Br)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.23 (none)   EXP
Water Solubility 1590 mg/L 25 EST
Vapor Pressure 2.59E-04 mm Hg 25 EST
Henry's Law Constant 2.82E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.58E-11 cm3/molecule-sec 25 EST

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