ChemSpider 2D Image | (3r)-Adamantan-1-yl 4-[(2,5-dihydroxybenzyl)amino]benzoate | C24H27NO4

(3r)-Adamantan-1-yl 4-[(2,5-dihydroxybenzyl)amino]benzoate

  • Molecular FormulaC24H27NO4
  • Average mass393.475 Da
  • Monoisotopic mass393.194000 Da
  • ChemSpider ID76920160

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3r)-Adamantan-1-yl 4-[(2,5-dihydroxybenzyl)amino]benzoate [ACD/IUPAC Name]
(3r)-Adamantan-1-yl-4-[(2,5-dihydroxybenzyl)amino]benzoat [German] [ACD/IUPAC Name]
4-[(2,5-Dihydroxybenzyl)amino]benzoate de (3r)-adamantan-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, tricyclo[3.3.1.13,7]dec-1-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 320.4±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2251.47
ACD/KOC (pH 5.5): 8734.06
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2248.02
ACD/KOC (pH 7.4): 8720.67
Polar Surface Area: 79 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 295.7±5.0 cm3

Click to predict properties on the Chemicalize site


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