ChemSpider 2D Image | 1-[(2S,3R)-3-(3,4-Dichlorophenyl)bicyclo[2.2.2]oct-2-yl]-N,N-dimethylmethanamine | C17H23Cl2N

1-[(2S,3R)-3-(3,4-Dichlorophenyl)bicyclo[2.2.2]oct-2-yl]-N,N-dimethylmethanamine

  • Molecular FormulaC17H23Cl2N
  • Average mass312.277 Da
  • Monoisotopic mass311.120758 Da
  • ChemSpider ID23239643

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-[(2S,3R)-3-(3,4-Dichlorophenyl)bicyclo[2.2.2]oct-2-yl]-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-[(2S,3R)-3-(3,4-Dichlorophényl)bicyclo[2.2.2]oct-2-yl]-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
1-[(2S,3R)-3-(3,4-Dichlorphenyl)bicyclo[2.2.2]oct-2-yl]-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2-methanamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, (2S,3R)- [ACD/Index Name]
(trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2-ylmethyl]-dimethyl-amine(LR 5182)

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

LR-5182 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 386.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.7±25.1 °C
Index of Refraction: 1.551
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 16.70
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 52.56
ACD/KOC (pH 7.4): 150.22
Polar Surface Area: 3 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

Click to predict properties on the Chemicalize site


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