ChemSpider 2D Image | 4-{[(3s,5s,7s)-Adamantan-1-ylcarbonyl]amino}benzoic acid | C18H21NO3

4-{[(3s,5s,7s)-Adamantan-1-ylcarbonyl]amino}benzoic acid

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID59758264

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-{[(3s,5s,7s)-Adamantan-1-ylcarbonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[(3s,5s,7s)-Adamantan-1-ylcarbonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(3s,5s,7s)-adamantan-1-ylcarbonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]- [ACD/Index Name]
62144-92-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.0±25.4 °C
Index of Refraction: 1.656
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 33.60
ACD/KOC (pH 5.5): 187.25
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.94
Polar Surface Area: 66 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement