ChemSpider 2D Image | (3R,4S)-1,3-Dimethyl-4-phenyl-4-azepanyl propionate | C17H25NO2

(3R,4S)-1,3-Dimethyl-4-phenyl-4-azepanyl propionate

  • Molecular FormulaC17H25NO2
  • Average mass275.386 Da
  • Monoisotopic mass275.188538 Da
  • ChemSpider ID34993853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1,3-Dimethyl-4-phenyl-4-azepanyl propionate [ACD/IUPAC Name]
(3R,4S)-1,3-Dimethyl-4-phenyl-4-azepanylpropionat [German] [ACD/IUPAC Name]
1H-Azepin-4-ol, hexahydro-1,3-dimethyl-4-phenyl-, propanoate (ester), (3R,4S)- [ACD/Index Name]
Propionate de (3R,4S)-1,3-diméthyl-4-phényl-4-azépanyle [French] [ACD/IUPAC Name]
201-006-8 [EINECS]
77-14-5 [RN]
proheptazine [INN]
UNII-S23189WW7E

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

Density: 1.0±0.1 g/cm3
Boiling Point: 355.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 112.8±18.8 °C
Index of Refraction: 1.532
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 22.56
ACD/KOC (pH 7.4): 166.71
Polar Surface Area: 30 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


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