Product Name

  • Name

    2-Cyano-1,3-dinitroso-3-methyl-1-[2-[[(5-methyl-4-imidazolin-4-yl)methyl]thio]ethyl]guanidine

  • EINECS
  • CAS No. 82038-92-4
  • Density 1.45g/cm3
  • Solubility
  • Melting Point
  • Formula C10H16N8O2S
  • Boiling Point 461.7°C at 760 mmHg
  • Molecular Weight 312.40
  • Flash Point 233°C
  • Transport Information
  • Appearance
  • Safety 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 82038-92-4 (2-Cyano-1,3-dinitroso-3-methyl-1-[2-[[(5-methyl-4-imidazolin-4-yl)methyl]thio]ethyl]guanidine)
  • Hazard Symbols
  • Synonyms 2-CYANO-1,3-DINITROSO-3-METHYL-1-(2-(((4-METHYL-4-IMIDAZOLIN-5-YL)METHYL)THIO)ETHYL)GUANIDINE;Guanidine,2-cyano-1,3-dinitroso-3-methyl-1-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl);Dinitrosocimetidine;
  • PSA 150.85000
  • LogP 1.19268

Dinitrosocimetidine Chemical Properties

Molecule structure of Dinitrosocimetidine (CAS NO.82038-92-4) :

IUPAC Name: 2-cyano-1-methyl-3-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1,3-dinitrosoguanidine 
Molecular Weight: 312.35144 g/mol
Molecular Formula: C10H16N8O2
Density: 1.45 g/cm3 
Boiling Point: 461.7 °C at 760 mmHg 
Flash Point: 233 °C
Index of Refraction: 1.672
Molar Refractivity: 80.32 cm3
Molar Volume: 214.4 cm3
Polarizability: 31.84*10-24 cm3
Surface Tension: 63.6 dyne/cm 
Enthalpy of Vaporization: 72.26 kJ/mol
Vapour Pressure: 1.05E-08 mmHg at 25 °C
XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 10
Rotatable Bond Count: 7
Exact Mass: 312.111692
MonoIsotopic Mass: 312.111692
Topological Polar Surface Area: 126
Heavy Atom Count: 21
Complexity: 497
Canonical SMILES: CC1=C(NCN1)CSCCN(C(=NC#N)N(C)N=O)N=O
InChI: InChI=1S/C10H16N8O2S/c1-8-9(14-7-13-8)5-21-4-3-18(16-20)10(12-6-11)17(2)15-19/h13-14H,3-5,7H2,1-2H3
InChIKey of Dinitrosocimetidine (CAS NO.82038-92-4) : WYLIKPMBWILUHA-UHFFFAOYSA-N

Dinitrosocimetidine Toxicity Data With Reference

1.    

mmo-sat 200 µg/plate

    CRNGDP    Carcinogenesis. 2 (1981),261.
2.    

cyt-ham:ovr 2600 nmol/L/2H

    CRNGDP    Carcinogenesis. 2 (1981),261.

Dinitrosocimetidine Safety Profile

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.

Dinitrosocimetidine Specification

 Dinitrosocimetidine (CAS NO.82038-92-4) is also called Guanidine, 2-cyano-1,3-dinitroso-3-methyl-1-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)- .

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