ChemSpider 2D Image | 4-{[(3-Chloro-2-thienyl)methyl](methyl)amino}cyclohexanol | C12H18ClNOS

4-{[(3-Chloro-2-thienyl)methyl](methyl)amino}cyclohexanol

  • Molecular FormulaC12H18ClNOS
  • Average mass259.795 Da
  • Monoisotopic mass259.079773 Da
  • ChemSpider ID35200130

More details:

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

4-{[(3-Chlor-2-thienyl)methyl](methyl)amino}cyclohexanol [German] [ACD/IUPAC Name]
4-{[(3-Chloro-2-thienyl)methyl](methyl)amino}cyclohexanol [ACD/IUPAC Name]
4-{[(3-Chloro-2-thiényl)méthyl](méthyl)amino}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 4-[[(3-chloro-2-thienyl)methyl]methylamino]- [ACD/Index Name]
1825565-91-0 [RN]
4-{[(3-CHLOROTHIOPHEN-2-YL)METHYL](METHYL)AMINO}CYCLOHEXAN-1-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 172.3±27.9 °C
Index of Refraction: 1.585
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.37
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 34.71
ACD/KOC (pH 7.4): 368.98
Polar Surface Area: 52 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 209.1±5.0 cm3

Click to predict properties on the Chemicalize site


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