Found 13 results

Search term: NRLIFEGHTNUYFL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (E)-1-[(1R,2S,3S)-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-N-methoxymethanimine | C16H20Cl2N2O

(E)-1-[(1R,2S,3S)-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-N-methoxymethanimine

  • Molecular FormulaC16H20Cl2N2O
  • Average mass327.249 Da
  • Monoisotopic mass326.095276 Da
  • ChemSpider ID78075852

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(E)-1-[(1R,2S,3S)-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-N-methoxymethanimine [ACD/IUPAC Name]
(E)-1-[(1R,2S,3S)-3-(3,4-Dichlorophényl)-8-méthyl-8-azabicyclo[3.2.1]oct-2-yl]-N-méthoxyméthanimine [French] [ACD/IUPAC Name]
(E)-1-[(1R,2S,3S)-3-(3,4-Dichlorphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-N-methoxymethanimin [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxaldehyde, 3-(3,4-dichlorophenyl)-8-methyl-, O-methyloxime, (1R,2S,3S)- [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: 413.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.0±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 9.10
Polar Surface Area: 25 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

Click to predict properties on the Chemicalize site


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