ChemSpider 2D Image | (3s,5s,7s)-Adamantan-1-ylmethyl 4-aminobenzoate | C18H23NO2

(3s,5s,7s)-Adamantan-1-ylmethyl 4-aminobenzoate

  • Molecular FormulaC18H23NO2
  • Average mass285.381 Da
  • Monoisotopic mass285.172882 Da
  • ChemSpider ID110449892

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-Adamantan-1-ylmethyl 4-aminobenzoate [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-ylmethyl-4-aminobenzoat [German] [ACD/IUPAC Name]
4-Aminobenzoate de (3s,5s,7s)-adamantan-1-ylméthyle [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, 4-aminobenzoate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 270.9±18.8 °C
Index of Refraction: 1.603
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1465.08
ACD/KOC (pH 5.5): 6421.43
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1466.13
ACD/KOC (pH 7.4): 6426.04
Polar Surface Area: 52 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 239.8±3.0 cm3

Click to predict properties on the Chemicalize site


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