ChemSpider 2D Image | (2S)-1-(2-Chloro-5-methylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol | C14H22ClNO2

(2S)-1-(2-Chloro-5-methylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol

  • Molecular FormulaC14H22ClNO2
  • Average mass271.783 Da
  • Monoisotopic mass271.133911 Da
  • ChemSpider ID32809528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(2-Chlor-5-methylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(2-Chloro-5-methylphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-(2-Chloro-5-méthylphénoxy)-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-[(1,1-dimethylethyl)amino]-, (2S)- [ACD/Index Name]
38104-34-6 [RN]
14556-46-8 [RN]
Bupranolol [INN] [Wiki]
BUPRANOLOL, (S)-
UNII-858YGI5PIT

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

H6YMB4FH7P [DBID]
UNII:H6YMB4FH7P [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: 396.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 193.5±27.9 °C
Index of Refraction: 1.522
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.48
Polar Surface Area: 41 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 247.4±3.0 cm3

Click to predict properties on the Chemicalize site


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