ChemSpider 2D Image | MFCD28098258 | C11H17NO

MFCD28098258

  • Molecular FormulaC11H17NO
  • Average mass179.259 Da
  • Monoisotopic mass179.131012 Da
  • ChemSpider ID58824174

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Methylamino)-2-phenyl-1-butanol [German] [ACD/IUPAC Name]
(2S)-2-(Methylamino)-2-phenyl-1-butanol [ACD/IUPAC Name]
(2S)-2-(Méthylamino)-2-phényl-1-butanol [French] [ACD/IUPAC Name]
(S)-2-(Methylamino)-2-phenylbutan-1-ol
Benzeneethanol, β-ethyl-β-(methylamino)-, (βS)- [ACD/Index Name]
MFCD28098258
(2S)-2-(METHYLAMINO)-2-PHENYLBUTAN-1-OL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 299.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 107.8±12.4 °C
Index of Refraction: 1.520
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.98
Polar Surface Area: 32 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 178.9±3.0 cm3

Click to predict properties on the Chemicalize site


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