ChemSpider 2D Image | compound 9 [PMID: 3514912] | C15H15N3O2

compound 9 [PMID: 3514912]

  • Molecular FormulaC15H15N3O2
  • Average mass269.298 Da
  • Monoisotopic mass269.116425 Da
  • ChemSpider ID23221703

More details:

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

4-Carbamimidamidobenzoate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 4-carbamimidamidobenzoate [ACD/IUPAC Name]
4-Methylphenyl-4-carbamimidamidobenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-[(aminoiminomethyl)amino]-, 4-methylphenyl ester [ACD/Index Name]
compound 9 [PMID: 3514912]
(4-methylphenyl) 4-(diaminomethylideneamino)benzoate
4-Guanidino-benzoic acid p-tolyl ester
57438-34-3 [RN]
MFCD29918318
p-tolyl 4-guanidinobenzoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 423.6±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 210.0±29.3 °C
    Index of Refraction: 1.608
    Molar Refractivity: 75.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.92
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.41
    Polar Surface Area: 88 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 218.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement