ChemSpider 2D Image | (1R,2S)-2-(Methylamino)-1,2-diphenylethanol | C15H17NO

(1R,2S)-2-(Methylamino)-1,2-diphenylethanol

  • Molecular FormulaC15H17NO
  • Average mass227.302 Da
  • Monoisotopic mass227.131012 Da
  • ChemSpider ID22938094

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R*,2S*)-2-(Methylamino)-1,2-diphenylethan-1-ol
(1R,2S)-2-(METHYLAMINO)-1,2-DIPHENYLETHAN-1-OL
(1R,2S)-2-(Methylamino)-1,2-diphenylethanol [ACD/IUPAC Name]
(1R,2S)-2-(Methylamino)-1,2-diphenylethanol [German] [ACD/IUPAC Name]
(1R,2S)-2-(Méthylamino)-1,2-diphényléthanol [French] [ACD/IUPAC Name]
20616-52-8 [RN]
Benzeneethanol, β-(methylamino)-α-phenyl-, (αR,βS)- [ACD/Index Name]
550-58-3 [RN]
MFCD11505079

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

CCRIS 4693 [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: 355.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 113.2±9.3 °C
Index of Refraction: 1.591
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 46.30
Polar Surface Area: 32 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

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