ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-yl]ethanamine | C12H21N

2-[(3s,5s,7s)-Adamantan-1-yl]ethanamine

  • Molecular FormulaC12H21N
  • Average mass179.302 Da
  • Monoisotopic mass179.167404 Da
  • ChemSpider ID29367724
  • 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-yl]ethanamin [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]ethanamine [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]éthanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-ethanamine [ACD/Index Name]
1-adamantaneethanamine
1-C-Ethylaminoadamantane
26482-53-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 248.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 99.4±13.3 °C
Index of Refraction: 1.539
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 26 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site






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