ChemSpider 2D Image | Astrophylline | C19H26N2O

Astrophylline

  • Molecular FormulaC19H26N2O
  • Average mass298.422 Da
  • Monoisotopic mass298.204498 Da
  • ChemSpider ID30791166
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2Z)-1-[(2S,3'R)-2,3'-Bipiperidin-1'-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-1-[(2S,3'R)-2,3'-Bipiperidin-1'-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2Z)-1-[(2S,3'R)-2,3'-Bipipéridin-1'-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[(2S,3'R)-[2,3'-bipiperidin]-1'-yl]-3-phenyl-, (2Z)- [ACD/Index Name]
Astrophylline
5081-53-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 493.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.1±25.7 °C
Index of Refraction: 1.580
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 32 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

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