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Substance Name: N-Methyl-p-nitro-N-nitroso benzylamine
RN: 84174-24-3
UNII: Y64JWE82X8
InChIKey: ILORRQUFQKFPBB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H9-N3-O3

Molecular Weight

  • 195.177
 
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Names and Synonyms

Name of Substance

  • N-Methyl-p-nitro-N-nitroso benzylamine

Synonyms

  • BRN 5530387
  • CCRIS 2574
  • N-Methyl-p-nitro-N-nitrosobenzylamine
  • N-Nitroso-N-(p-nitrobenzyl)methylamine
  • N-Nitrosomethyl-4-nitrobenzylamine
  • UNII-Y64JWE82X8

Systematic Names

  • Benzylamine, N-methyl-p-nitro-N-nitroso-
  • N-Nitroso-N-(4-nitrobenzyl)methylamine

Registry Numbers

CAS Registry Number

  • 84174-24-3

FDA UNII

  • Y64JWE82X8

System Generated Number

  • 0084174243

Structure Descriptors

InChI

1S/C8H9N3O3/c1-10(9-12)6-7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3

InChIKey

ILORRQUFQKFPBB-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)CN(N=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.82 (none)   EXP
Water Solubility 3760 mg/L 25 EST
Vapor Pressure 2.68E-05 mm Hg 25 EST
Henry's Law Constant 6.55E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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