ChemSpider 2D Image | AKOS BC-0972 | C13H23N

AKOS BC-0972

  • Molecular FormulaC13H23N
  • Average mass193.328 Da
  • Monoisotopic mass193.183044 Da
  • ChemSpider ID32816503

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3r,5R,7S)-3-Isopropyl-1-adamantanamin [German] [ACD/IUPAC Name]
(1s,3r,5R,7S)-3-Isopropyl-1-adamantanamine [ACD/IUPAC Name]
(1s,3r,5R,7S)-3-Isopropyl-1-adamantanamine [French] [ACD/IUPAC Name]
80904-86-5 [RN]
AKOS BC-0972
Tricyclo[3.3.1.13,7]decan-1-amine, 3-(1-methylethyl)-, (5R,7S)- [ACD/Index Name]
(3-isopropyl-1-adamantyl)amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 252.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 97.5±9.7 °C
Index of Refraction: 1.543
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site


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