ChemSpider 2D Image | TRANEXAMIC ACID DIMER | C16H27NO4

TRANEXAMIC ACID DIMER

  • Molecular FormulaC16H27NO4
  • Average mass297.390 Da
  • Monoisotopic mass297.194000 Da
  • ChemSpider ID32700904

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

93940-19-3 [RN]
TRANEXAMIC ACID DIMER
(trans,trans)-4,4'-(Azanediylbis(methylene))dicyclohexanecarboxylic acid
trans-trans-4,4'-iminodimethylenedi(cyclohexanecarboxylic acid)

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

R7PAC6437T [DBID]
UNII:R7PAC6437T [DBID]
UNII-R7PAC6437T [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 496.1±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±6.0 kJ/mol
    Flash Point: 253.8±19.0 °C
    Index of Refraction: 1.516
    Molar Refractivity: 78.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 31.1±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 259.8±3.0 cm3

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