ChemSpider 2D Image | 3-[(3r)-Adamantan-1-yl]alanine | C13H21NO2

3-[(3r)-Adamantan-1-yl]alanine

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID97508585

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3-[(3r)-Adamantan-1-yl]alanin [German] [ACD/IUPAC Name]
3-[(3r)-Adamantan-1-yl]alanine [ACD/IUPAC Name]
3-[(3r)-Adamantan-1-yl]alanine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-propanoic acid, α-amino- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 176.7±23.2 °C
Index of Refraction: 1.568
Molar Refractivity: 61.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 63 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 187.0±3.0 cm3

Click to predict properties on the Chemicalize site


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