ChemSpider 2D Image | 4-[(3R,5S)-Adamantan-1-yl]-1,3-thiazol-2-amine | C13H18N2S

4-[(3R,5S)-Adamantan-1-yl]-1,3-thiazol-2-amine

  • Molecular FormulaC13H18N2S
  • Average mass234.360 Da
  • Monoisotopic mass234.119064 Da
  • ChemSpider ID129155965

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-Thiazolamine, 4-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
4-[(3R,5S)-Adamantan-1-yl]-1,3-thiazol-2-amin [German] [ACD/IUPAC Name]
4-[(3R,5S)-Adamantan-1-yl]-1,3-thiazol-2-amine [ACD/IUPAC Name]
4-[(3R,5S)-Adamantan-1-yl]-1,3-thiazol-2-amine [French] [ACD/IUPAC 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: 390.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.2±19.3 °C
Index of Refraction: 1.655
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 141.13
ACD/KOC (pH 5.5): 1080.69
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.70
ACD/KOC (pH 7.4): 1567.44
Polar Surface Area: 67 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 183.4±3.0 cm3

Click to predict properties on the Chemicalize site


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