ChemSpider 2D Image | N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide | C23H26N2O2S

N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide

  • Molecular FormulaC23H26N2O2S
  • Average mass394.530 Da
  • Monoisotopic mass394.171509 Da
  • ChemSpider ID24957884

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,4,6-trimethyl- [ACD/Index Name]
N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide [ACD/IUPAC Name]
N-[(1R,2R)-2-Amino-1,2-diphényléthyl]-2,4,6-triméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,4,6-trimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
(1R,2R)-N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2-DIPHENYLETHANE-1,2-DIAMINE
(1R,2R)-N-(2-Amino-1,2-diphenylethyl)-2,4,6-trimethylbenzenesulfonamide
852212-90-9 [RN]
97%
MFCD11501122
N-((1R,2R)-2-Amino-1,2-diphenylethyl)-2,4,6-trimethylbenzenesulfonamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 561.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.4±3.0 kJ/mol
    Flash Point: 293.3±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 115.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.51
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 2.96
    ACD/KOC (pH 5.5): 14.58
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 147.96
    ACD/KOC (pH 7.4): 729.19
    Polar Surface Area: 81 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 331.9±3.0 cm3

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