ChemSpider 2D Image | (3-Methyl-1-{[2-(4-methyl-1,3-thiazol-2-yl)ethyl]amino}cyclohexyl)phosphonic acid | C13H23N2O3PS

(3-Methyl-1-{[2-(4-methyl-1,3-thiazol-2-yl)ethyl]amino}cyclohexyl)phosphonic acid

  • Molecular FormulaC13H23N2O3PS
  • Average mass318.372 Da
  • Monoisotopic mass318.116699 Da
  • ChemSpider ID22417207

More details:

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

(3-Methyl-1-{[2-(4-methyl-1,3-thiazol-2-yl)ethyl]amino}cyclohexyl)phosphonic acid [ACD/IUPAC Name]
(3-Methyl-1-{[2-(4-methyl-1,3-thiazol-2-yl)ethyl]amino}cyclohexyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (3-méthyl-1-{[2-(4-méthyl-1,3-thiazol-2-yl)éthyl]amino}cyclohexyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [3-methyl-1-[[2-(4-methyl-2-thiazolyl)ethyl]amino]cyclohexyl]- [ACD/Index 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: 513.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.3±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 247.3±5.0 cm3

Click to predict properties on the Chemicalize site


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