ChemSpider 2D Image | (1R,13R)-7-Chloro-15-methyl-10-azatetracyclo[11.3.1.0~2,11~.0~4,9~]heptadeca-2,4,6,8,10,14-hexaen-3-amine | C17H17ClN2

(1R,13R)-7-Chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine

  • Molecular FormulaC17H17ClN2
  • Average mass284.783 Da
  • Monoisotopic mass284.108032 Da
  • ChemSpider ID76804482

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R,13R)-7-Chlor-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amin [German] [ACD/IUPAC Name]
(1R,13R)-7-Chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine [ACD/IUPAC Name]
(1R,13R)-7-Chloro-15-méthyl-10-azatétracyclo[11.3.1.02,11.04,9]heptadéca-2,4,6,8,10,14-hexaén-3-amine [French] [ACD/IUPAC Name]
7,11-Methanocycloocta[b]quinolin-12-amine, 3-chloro-6,7,10,11-tetrahydro-9-methyl-, (7R,11R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 440.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 29.68
ACD/KOC (pH 5.5): 97.87
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1026.74
ACD/KOC (pH 7.4): 3385.06
Polar Surface Area: 39 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 223.3±3.0 cm3

Click to predict properties on the Chemicalize site


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