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Substance Name: N-Methyl-N-nitrosobenzenamine
RN: 614-00-6
UNII: 9SM68I29WQ
InChIKey: MAXCWSIJKVASQC-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C7-H8-N2-O

Molecular Weight

  • 136.153
 
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Names and Synonyms

Name of Substance

  • N-Methyl-N-nitrosoaniline
  • N-Methyl-N-nitrosobenzenamine

Synonyms

  • 4-16-00-00864 (Beilstein Handbook Reference)
  • AI3-01373
  • Aniline, N-methyl-N-nitroso-
  • Benzenamine, N-methyl-N-nitroso-
  • BRN 1841401
  • CCRIS 400
  • EINECS 210-366-5
  • HSDB 5072
  • Methylnitroso phenylamine
  • Methylnitrosoaniline
  • Methylphenylnitrosamine
  • N-Methyl-N-nitrosaniline
  • N-Methyl-N-nitrosoaniline
  • N-Methyl-N-nitrosobenzenamine
  • N-Methyl-N-phenylnitrosamine
  • N-Methyl-N-phenylnitrosoamine
  • N-Nitroso-N-methylaniline
  • N-Nitrosomethylphenylamine
  • Nitrosomethylaniline
  • NMA
  • NSC 137
  • Phenylmethylnitrosamine
  • UNII-9SM68I29WQ

Systematic Names

  • Aniline, N-methyl-N-nitroso-
  • Benzenamine, N-methyl-N-nitroso-
  • N-Methyl-N-nitrosoaniline

Registry Numbers

CAS Registry Number

  • 614-00-6

FDA UNII

  • 9SM68I29WQ

System Generated Number

  • 0000614006

Structure Descriptors

InChI

1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

MAXCWSIJKVASQC-UHFFFAOYSA-N

Smiles

c1(N(N=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 oral 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 426, 1970.
rabbit LDLo skin 375mg/kg (375mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0570624,
rat LD50 intraperitoneal 180mg/kg (180mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 71, Pg. 32, 1968.
rat LD50 oral 225mg/kg (225mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 426, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14.7 deg C   EXP
Boiling Point 225 dec deg C   EXP
log P (octanol-water) 1.490 (none)   EST
Water Solubility 9240 mg/L 25 EST
Vapor Pressure 0.154 mm Hg 25 EST
Henry's Law Constant 4.83E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-11 cm3/molecule-sec 25 EST

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