ChemSpider 2D Image | (1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane | C16H21Cl2NO

(1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC16H21Cl2NO
  • Average mass314.250 Da
  • Monoisotopic mass313.100006 Da
  • ChemSpider ID32698248

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,2R,3S,5S)-3-(3,4-Dichlorophényl)-2-(méthoxyméthyl)-8-méthyl-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(1R,2R,3S,5S)-3-(3,4-Dichlorphenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
195875-68-4 [RN]
8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)- [ACD/Index Name]
195875-68-4 (free base)
8-Azabicyclo(3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)-
NS-2359
NS-2359 free base

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

76H76554PA [DBID]
UNII:76H76554PA [DBID]
UNII-76H76554PA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.1±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.51
Polar Surface Area: 12 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 266.0±3.0 cm3

Click to predict properties on the Chemicalize site


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