ChemSpider 2D Image | (9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene | C18H25N

(9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

  • Molecular FormulaC18H25N
  • Average mass255.398 Da
  • Monoisotopic mass255.198700 Da
  • ChemSpider ID30791808

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien [German] [ACD/IUPAC Name]
(9R,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene [ACD/IUPAC Name]
(9R,13R)-10-(Cyclopropylméthyl)-1,13-diméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-triène [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocine, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,11R)- [ACD/Index Name]
15686-68-7 [RN]
UNII-6Z47B07H2H
Volazocine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 348.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 148.6±21.7 °C
Index of Refraction: 1.570
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.57
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 39.21
Polar Surface Area: 3 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement