Product Name

  • Name

    nitrosocimetidine

  • EINECS
  • CAS No. 73785-40-7
  • Article Data3
  • CAS DataBase
  • Density 1.36g/cm3
  • Solubility
  • Melting Point
  • Formula C10H15 N7 O S
  • Boiling Point 493.9°C at 760 mmHg
  • Molecular Weight 299.357
  • Flash Point 252.5°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental carcinogenic data. An experimental teratogen. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of SOx and NOx. See also N-NITROSO COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 73785-40-7 (nitrosocimetidine)
  • Hazard Symbols
  • Synonyms Guanidine,N'-cyano-N-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-nitroso-(9CI); N-Nitrosocimetidine; Nitrosocimetidine
  • PSA 134.83000
  • LogP 1.38208

Nitrosocimetidine Chemical Properties

Product Name: Nitrosocimetidine (CAS NO.73785-40-7)


Molecular Formula: C10H15N7OS
Molecular Weight: 281.38g/mol
Mol File: 73785-40-7.mol
Boiling point: 493.9 °C at 760 mmHg
Flash Point: 252.5 °C
Density: 1.36 g/cm3
Surface Tension: 56.5 dyne/cm
Enthalpy of Vaporization: 76.12 kJ/mol
Vapour Pressure: 6.75E-10 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of Nitrosocimetidine (CAS NO.73785-40-7):
  IUPAC Name: 3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
  Canonical SMILES: CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O
  InChI: InChI=1S/C10H15N7OS/c1-8-9(15-7-14-8)5-19-4-3-12-10(13-6-11)17(2)16-18/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15) 
  InChIKey: LFTUYYPQNCJQGN-UHFFFAOYSA-N

Nitrosocimetidine Toxicity Data With Reference

1.    

mma-sat 1 mg/plate

     TOLED5    Toxicology Letters. 12 (1982),281.
2.    

sce-hmn:lym 260 µmol/L

     MUREAV    Mutation Research. 156 (1985),117.
3.    

orl-mus TDLo:1316 mg/(pre-post):CAR,TER

     CNREA8    Cancer Research. 45 (1985),3561.

Nitrosocimetidine Safety Profile

Questionable carcinogen with experimental carcinogenic data. An experimental teratogen. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of SOx and NOx. See also N-NITROSO COMPOUNDS.

Nitrosocimetidine Specification

 Nitrosocimetidine , its CAS NO. is 73785-40-7, the synonyms are CCRIS 1952 ; N-Nitrosocimetidine ; Guanidine, 2-cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-1-nitroso- ; Guanidine, N'-cyano-N-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-N-nitroso- .

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