ChemSpider 2D Image | (3Z)-3-[(1S,4R)-Bicyclo[2.2.1]hept-2-ylidene]-N,N-dimethyl-3-phenyl-1-propanamine | C18H25N

(3Z)-3-[(1S,4R)-Bicyclo[2.2.1]hept-2-ylidene]-N,N-dimethyl-3-phenyl-1-propanamine

  • Molecular FormulaC18H25N
  • Average mass255.398 Da
  • Monoisotopic mass255.198700 Da
  • ChemSpider ID34983410

  • 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

(3Z)-3-[(1S,4R)-Bicyclo[2.2.1]hept-2-yliden]-N,N-dimethyl-3-phenyl-1-propanamin [German] [ACD/IUPAC Name]
(3Z)-3-[(1S,4R)-Bicyclo[2.2.1]hept-2-ylidene]-N,N-dimethyl-3-phenyl-1-propanamine [ACD/IUPAC Name]
(3Z)-3-[(1S,4R)-Bicyclo[2.2.1]hept-2-ylidène]-N,N-diméthyl-3-phényl-1-propanamine [French] [ACD/IUPAC Name]
Benzenepropanamine, γ-[(1S,4R)-bicyclo[2.2.1]hept-2-ylidene]-N,N-dimethyl-, (γZ)- [ACD/Index Name]
54063-48-8 [RN]
Heptaverine [INN]
UNII-0035H8M4YL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 372.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.0±21.7 °C
Index of Refraction: 1.570
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 5.36
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 12.69
ACD/KOC (pH 7.4): 57.51
Polar Surface Area: 3 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 249.6±3.0 cm3

Click to predict properties on the Chemicalize site


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