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Substance Name: 3-Bromo-N-methyl-N-nitroso benzenemethanamine
RN: 98736-47-1
UNII: US77V3W4HF
InChIKey: COKMTJNEJDZWKI-UHFFFAOYSA-N

Molecular Weight

  • 229.076
 
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Names and Synonyms

Name of Substance

  • 3-Bromo-N-methyl-N-nitroso benzenemethanamine

Synonyms

  • CCRIS 2565
  • UNII-US77V3W4HF

Systematic Name

  • N-Nitroso-N-(3-bromobenzyl)methylamine

Registry Numbers

CAS Registry Number

  • 98736-47-1

FDA UNII

  • US77V3W4HF

System Generated Number

  • 0098736471

Structure Descriptors

InChI

1S/C8H9BrN2O/c1-11(10-12)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3

InChIKey

COKMTJNEJDZWKI-UHFFFAOYSA-N

Smiles

c1c(Br)cc(CN(C)N=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 1200 mg/L 25 EST
Vapor Pressure 1.84E-04 mm Hg 25 EST
Henry's Law Constant 6.62E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EST

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