ChemSpider 2D Image | CIMETIDINE-D3 | C10H13D3N6S

CIMETIDINE-D3

  • Molecular FormulaC10H13D3N6S
  • Average mass255.358 Da
  • Monoisotopic mass255.134552 Da
  • ChemSpider ID23630192

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1185237-29-9 [RN]
1-Cyan-2-(2H3)methyl-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidin [German] [ACD/IUPAC Name]
1-Cyano-2-(2H3)methyl-3-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine [ACD/IUPAC Name]
1-Cyano-2-(2H3)méthyl-3-(2-{[(4-méthyl-1H-imidazol-5-yl)méthyl]sulfanyl}éthyl)guanidine [French] [ACD/IUPAC Name]
CIMETIDINE-D3
Guanidine, N''-cyano-N-methyl-d3-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]- [ACD/Index Name]
1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-(trideuteriomethyl)guanidine
51481-61-9 [RN]
Cimetidine-d3 (N-methyl-d3)
MFCD09840269
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 488.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 248.9±31.5 °C
    Index of Refraction: 1.632
    Molar Refractivity: 70.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 27.92
    Polar Surface Area: 114 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 49.6±7.0 dyne/cm
    Molar Volume: 198.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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