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Substance Name: N-Methyl-N-nitroso-(4-methylphenyl)methylamine
RN: 62783-50-0
InChIKey: SGJYQDLYKCDHNS-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C9-H12-N2-O

Molecular Weight

  • 164.207
 
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Names and Synonyms

Name of Substance

  • N-Methyl-N-nitroso-(4-methylphenyl)methylamine

Synonyms

  • BRN 5507971
  • CCRIS 2569
  • N-Nitroso-N-(4-methylbenzyl)-methylamin
  • N-Nitroso-N-(4-methylbenzyl)-methylamin [German]
  • N-Nitroso-N-(4-methylbenzyl)methylamine

Systematic Names

  • Benzylamine, N,p-dimethyl-N-nitroso-
  • N-Nitroso-N-(4-methylbenzyl)methylamine

Registry Numbers

CAS Registry Number

  • 62783-50-0

System Generated Number

  • 0062783500

Structure Descriptors

InChI

1S/C9H12N2O/c1-8-3-5-9(6-4-8)7-11(2)10-12/h3-6H,7H2,1-2H3

InChIKey

SGJYQDLYKCDHNS-UHFFFAOYSA-N

Smiles

c1(CN(N=O)C)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 400mg/kg (400mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 88, Pg. 231, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 974 mg/L 25 EST
Vapor Pressure 1.18E-03 mm Hg 25 EST
Henry's Law Constant 1.83E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-11 cm3/molecule-sec 25 EST

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