ChemSpider 2D Image | N-{[5-(2-Thienyl)-1,2-oxazol-3-yl]methyl}-1-adamantanamine | C18H22N2OS

N-{[5-(2-Thienyl)-1,2-oxazol-3-yl]methyl}-1-adamantanamine

  • Molecular FormulaC18H22N2OS
  • Average mass314.445 Da
  • Monoisotopic mass314.145294 Da
  • ChemSpider ID31144892

More details:

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

3-Isoxazolemethanamine, 5-(2-thienyl)-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-{[5-(2-Thienyl)-1,2-oxazol-3-yl]methyl}-1-adamantanamin [German] [ACD/IUPAC Name]
N-{[5-(2-Thienyl)-1,2-oxazol-3-yl]methyl}-1-adamantanamine [ACD/IUPAC Name]
N-{[5-(2-Thiényl)-1,2-oxazol-3-yl]méthyl}-1-adamantanamine [French] [ACD/IUPAC Name]
(3s,5s,7s)-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)adamantan-1-amine
1421958-72-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±25.9 °C
Index of Refraction: 1.629
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 57.41
ACD/KOC (pH 7.4): 334.26
Polar Surface Area: 66 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 248.4±5.0 cm3

Click to predict properties on the Chemicalize site


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