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ChemSpider 2D Image | CHEMBRDG-BB 4016004 | C9H12ClN3

CHEMBRDG-BB 4016004

  • Molecular FormulaC9H12ClN3
  • Average mass197.665 Da
  • Monoisotopic mass197.071976 Da
  • ChemSpider ID21612771

More details:

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

1-(4-Chlorbenzyl)-1-methylguanidin [German] [ACD/IUPAC Name]
1-(4-Chlorobenzyl)-1-methylguanidine [ACD/IUPAC Name]
1-(4-Chlorobenzyl)-1-méthylguanidine [French] [ACD/IUPAC Name]
46232-80-8 [RN]
CHEMBRDG-BB 4016004
Guanidine, N-[(4-chlorophenyl)methyl]-N-methyl- [ACD/Index Name]
MFCD08060013 [MDL number]
N-(4-chlorobenzyl)-N-methylguanidine
1-[(4-chlorophenyl)methyl]-1-methylguanidine
N-[(4-Chlorophenyl)methyl]-N-methylguanidine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 302.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.3±3.0 kJ/mol
    Flash Point: 136.8±28.4 °C
    Index of Refraction: 1.578
    Molar Refractivity: 53.7±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5): -0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 44.1±7.0 dyne/cm
    Molar Volume: 161.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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