ChemSpider 2D Image | (1R,5R)-2-Isopropyl-5-methylcyclohexyl 2-aminobenzoate | C17H25NO2

(1R,5R)-2-Isopropyl-5-methylcyclohexyl 2-aminobenzoate

  • Molecular FormulaC17H25NO2
  • Average mass275.386 Da
  • Monoisotopic mass275.188538 Da
  • ChemSpider ID76832373

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,5R)-2-Isopropyl-5-methylcyclohexyl 2-aminobenzoate [ACD/IUPAC Name]
(1R,5R)-2-Isopropyl-5-methylcyclohexyl-2-aminobenzoat [German] [ACD/IUPAC Name]
2-Aminobenzoate de (1R,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 2-aminobenzoate, (1R,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 383.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 220.9±17.9 °C
Index of Refraction: 1.534
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9293.48
ACD/KOC (pH 5.5): 24096.54
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9297.77
ACD/KOC (pH 7.4): 24107.65
Polar Surface Area: 52 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 260.6±5.0 cm3

Click to predict properties on the Chemicalize site


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