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

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

  • Molecular FormulaC12H21N
  • Average mass179.302 Da
  • Monoisotopic mass179.167404 Da
  • ChemSpider ID26324163

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[(3s,5s,7s)-Adamantan-1-yl]ethanamin [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]ethanamine [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]éthanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl- [ACD/Index Name]
(1S)-1-(adamantan-1-yl)ethan-1-amine
(S)-1-(1-Adamantyl)ethanamine
887336-06-3 [RN]
MFCD14705942 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 247.8±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: 99.3±13.3 °C
Index of Refraction: 1.545
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 26 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 173.5±3.0 cm3

Click to predict properties on the Chemicalize site


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