Product Name

  • Name

    nitrosomethyl-(2-phenylethyl)amine

  • EINECS
  • CAS No. 13256-11-6
  • Article Data9
  • CAS DataBase
  • Density 1.02g/cm3
  • Solubility
  • Melting Point
  • Formula C9H12 N2 O
  • Boiling Point 313.3°Cat760mmHg
  • Molecular Weight 164.207
  • Flash Point 143.3°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 13256-11-6 (nitrosomethyl-(2-phenylethyl)amine)
  • Hazard Symbols
  • Synonyms Phenethylamine,N-methyl-N-nitroso- (7CI,8CI); Methylphenylethylnitrosamine;N-Nitroso-N-methyl-2-phenylethylamine; N-methyl-N-nitrosobenzeneethanamine
  • PSA 32.67000
  • LogP 1.84230

Methyl-phenylethyl-nitrosamine Chemical Properties

Molecule structure of Methyl-phenylethyl-nitrosamine (CAS NO.13256-11-6):

IUPAC Name: N-Methyl-N-phenethylnitrous amide 
Molecular Weight: 164.20438 g/mol
Molecular Formula: C9H12N2O 
Density: 1.02 g/cm3 
Boiling Point: 313.3 °C at 760 mmHg 
Flash Point: 143.3 °C
Index of Refraction: 1.523
Molar Refractivity: 49.14 cm3
Molar Volume: 160.7 cm3
Polarizability: 19.48×10-24 cm3
Surface Tension: 37.9 dyne/cm 
Enthalpy of Vaporization: 53.23 kJ/mol
Vapour Pressure: 0.00092 mmHg at 25 °C 
XLogP3-AA: 2.1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 164.094963
MonoIsotopic Mass: 164.094963
Topological Polar Surface Area: 32.7
Heavy Atom Count: 12
Complexity: 133
Canonical SMILES: CN(CCC1=CC=CC=C1)N=O
InChI: InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey of Methyl-phenylethyl-nitrosamine (CAS NO.13256-11-6): AVESHLVLHJKUKQ-UHFFFAOYSA-N

Methyl-phenylethyl-nitrosamine Toxicity Data With Reference

1.    

mma-sat 10 µg/plate

     MUREAV    Mutation Research. 66 (1979),1.
2.    

orl-rat LD50:48 mg/kg

     ZEKBAI    Zeitschrift fuer Krebsforschung. 69 (1967),103.

Methyl-phenylethyl-nitrosamine Safety Profile

Poison by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Methyl-phenylethyl-nitrosamine Specification

 Methyl-phenylethyl-nitrosamine (CAS NO.13256-11-6) is also named as Nitrosomethyl-(2-phenylethyl)amine ; BRN 0640408 ; Methyl(2-phenylaethyl)nitrosamin ; Methyl(2-phenylaethyl)nitrosamin [German] ; N-Methyl-N-nitrosophenethylamine ; N-Nitroso-N-methyl-2-phenylethylamine ; Phenethylamine, N-methyl-N-nitroso- .

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