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Substance Name: 4-tert-Butylnitrosopiperidine
RN: 46061-25-0
InChIKey: XVZWACWGVWVKEW-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C9-H18-N2-O

Molecular Weight

  • 170.254
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butylnitrosopiperidine

Synonyms

  • 4-(1,1-Dimethylethyl)-1-nitrosopiperidine
  • 4-tert-Butyl-1-nitrosopiperidine
  • 5-20-04-00234 (Beilstein Handbook Reference)
  • BRN 1342194
  • N-Nitroso-4-tert-butylpiperidine

Systematic Names

  • Piperidine, 4-(1,1-dimethylethyl)-1-nitroso- (9CI)
  • Piperidine, 4-tert-butyl-1-nitroso

Registry Numbers

CAS Registry Number

  • 46061-25-0

Other Registry Number

  • 17721-94-7

System Generated Number

  • 0046061250

Structure Descriptors

InChI

1S/C9H18N2O/c1-9(2,3)8-4-6-11(10-12)7-5-8/h8H,4-7H2,1-3H3

InChIKey

XVZWACWGVWVKEW-UHFFFAOYSA-N

Smiles

O=NN1CCC(C(C)(C)C)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.54 (none)   EXP
Water Solubility 415 mg/L 25 EST
Vapor Pressure 8.05E-03 mm Hg 25 EST
Henry's Law Constant 6.59E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.83E-11 cm3/molecule-sec 25 EST

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