ChemSpider 2D Image | (2R)-N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine | C18H22ClNO

(2R)-N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine

  • Molecular FormulaC18H22ClNO
  • Average mass303.826 Da
  • Monoisotopic mass303.138977 Da
  • ChemSpider ID34986229

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-N-Benzyl-N-(2-chlorethyl)-1-phenoxy-2-propanamin [German] [ACD/IUPAC Name]
(2R)-N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine [ACD/IUPAC Name]
(2R)-N-Benzyl-N-(2-chloroéthyl)-1-phénoxy-2-propanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, N-(2-chloroethyl)-N-[(1R)-1-methyl-2-phenoxyethyl]- [ACD/Index Name]
200-446-8 [EINECS]
59-96-1 [RN]
phenoxybenzamine [INN] [Wiki]
UNII-0TTZ664R7Z

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.5±23.7 °C
Index of Refraction: 1.560
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 78.16
ACD/KOC (pH 5.5): 380.59
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 878.96
ACD/KOC (pH 7.4): 4279.93
Polar Surface Area: 12 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


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