ChemSpider 2D Image | (1S)-1-[(1R,3S)-Adamantan-1-yl]-2-aminoethanol | C12H21NO

(1S)-1-[(1R,3S)-Adamantan-1-yl]-2-aminoethanol

  • Molecular FormulaC12H21NO
  • Average mass195.301 Da
  • Monoisotopic mass195.162308 Da
  • ChemSpider ID57302013

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-[(1R,3S)-Adamantan-1-yl]-2-aminoethanol [German] [ACD/IUPAC Name]
(1S)-1-[(1R,3S)-Adamantan-1-yl]-2-aminoethanol [ACD/IUPAC Name]
(1S)-1-[(1R,3S)-Adamantan-1-yl]-2-aminoéthanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, α-(aminomethyl)-, (αS,1R)- [ACD/Index Name]
1-(1-adamantyl)-2-aminoethanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 338.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.5±6.0 kJ/mol
Flash Point: 158.8±20.4 °C
Index of Refraction: 1.574
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 46 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 171.0±3.0 cm3

Click to predict properties on the Chemicalize site


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