ChemSpider 2D Image | (R)-mabuterol | C13H18ClF3N2O

(R)-mabuterol

  • Molecular FormulaC13H18ClF3N2O
  • Average mass310.743 Da
  • Monoisotopic mass310.105988 Da
  • ChemSpider ID32809808

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-[4-Amino-3-chlor-5-(trifluormethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol [German] [ACD/IUPAC Name]
(1R)-1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol [ACD/IUPAC Name]
(1R)-1-[4-Amino-3-chloro-5-(trifluorométhyl)phényl]-2-[(2-méthyl-2-propanyl)amino]éthanol [French] [ACD/IUPAC Name]
(R)-mabuterol
56707-26-7 [RN]
Benzenemethanol, 4-amino-3-chloro-α-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)-, (αR)- [ACD/Index Name]
56341-08-3 [RN]
Mabuterol [INN]
MABUTEROL, (R)-
UNII-R4K19W6S7Q

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

OLB2O2XCWH [DBID]
UNII:OLB2O2XCWH [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.1±26.5 °C
Index of Refraction: 1.517
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 58 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

Click to predict properties on the Chemicalize site


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