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Substance Name: Pyrrolidine, 3,4-dichloro-N-nitroso-
RN: 59863-59-1
InChIKey: NXUCOCMJAHWYNO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H6-Cl2-N2-O

Molecular Weight

  • 169.01
 
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Names and Synonyms

Synonyms

  • 3,4-Dichloro-N-nitrosopyrrolidine
  • CCRIS 2060

Systematic Names

  • N-Nitroso-3,4-dichloropyrrolidine
  • Pyrrolidine, 3,4-dichloro-N-nitroso-

Registry Numbers

CAS Registry Number

  • 59863-59-1

System Generated Number

  • 0059863591

Structure Descriptors

InChI

1S/C4H6Cl2N2O/c5-3-1-8(7-9)2-4(3)6/h3-4H,1-2H2

InChIKey

NXUCOCMJAHWYNO-UHFFFAOYSA-N

Smiles

O=NN1C[C@@H](Cl)[C@@H](Cl)C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.83 (none)   EXP
Water Solubility 1.22E+04 mg/L 25 EST
Vapor Pressure 8.91E-03 mm Hg 25 EST
Henry's Law Constant 1.98E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.42E-12 cm3/molecule-sec 25 EST

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