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Substance Name: 2,5-Dimethyl-1-nitrosopyrrolidine
RN: 55556-86-0
UNII: EP681YQ3JS
InChIKey: FRMDNAKEXMEBOM-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C6-H12-N2-O

Molecular Weight

  • 128.174
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethyl-1-nitrosopyrrolidine

Synonyms

  • 0-20-00-00103 (Beilstein Handbook Reference)
  • 2,5-Dimethyl-N-nitrosopyrrolidine
  • BRN 0111013
  • UNII-EP681YQ3JS

Systematic Name

  • Pyrrolidine, 2,5-dimethyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 55556-86-0

FDA UNII

  • EP681YQ3JS

System Generated Number

  • 0055556860

Structure Descriptors

InChI

1S/C6H12N2O/c1-5-3-4-6(2)8(5)7-9/h5-6H,3-4H2,1-2H3

InChIKey

FRMDNAKEXMEBOM-UHFFFAOYSA-N

Smiles

N1([C@@H](CC[C@@H]1C)C)N=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.86 (none)   EXP
Water Solubility 1.72E+04 mg/L 25 EST
Vapor Pressure 0.090 mm Hg 25 EST
Henry's Law Constant 2.82E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.05E-11 cm3/molecule-sec 25 EST

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