ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-beta-alanine | C14H22N2O3

N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-β-alanine

  • Molecular FormulaC14H22N2O3
  • Average mass266.336 Da
  • Monoisotopic mass266.163055 Da
  • ChemSpider ID24525302

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-β-alanine [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]- [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: 516.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 266.3±24.3 °C
Index of Refraction: 1.571
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 212.4±5.0 cm3

Click to predict properties on the Chemicalize site


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