ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]benzoic acid | C18H21NO3

2-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]benzoic acid

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID29361924

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(3s,5s,7s)-adamantan-1-ylcarbamoyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]- [ACD/Index Name]
26878-89-7 [RN]
N-Adamantan-1-yl-phthalamic acid
N-ADAMANTAN-1-YL-PHTHALAMICACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.2±25.4 °C
Index of Refraction: 1.623
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 13.42
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 66 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 231.2±5.0 cm3

Click to predict properties on the Chemicalize site


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