ChemSpider 2D Image | (S)-cetamolol | C16H26N2O4

(S)-cetamolol

  • Molecular FormulaC16H26N2O4
  • Average mass310.389 Da
  • Monoisotopic mass310.189270 Da
  • ChemSpider ID34995542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-cetamolol
116679-71-1 [RN]
2-(2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenoxy)-N-methylacetamid [German] [ACD/IUPAC Name]
2-(2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenoxy)-N-methylacetamide [ACD/IUPAC Name]
2-(2-{(2S)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phénoxy)-N-méthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[2-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenoxy]-N-methyl- [ACD/Index Name]
34919-98-7 [RN]
Cetamolol [Wiki]
CETAMOLOL, (S)-
UNII-Z0VD1633O8

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

QSG72W6U9C [DBID]
UNII:QSG72W6U9C [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.7±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement