ChemSpider 2D Image | (1S,4R)-3'-Chloro-N,N-dimethyl-10',11'-dihydrospiro[cyclohex-2-ene-1,5'-dibenzo[a,d][7]annulen]-4-amine | C22H24ClN

(1S,4R)-3'-Chloro-N,N-dimethyl-10',11'-dihydrospiro[cyclohex-2-ene-1,5'-dibenzo[a,d][7]annulen]-4-amine

  • Molecular FormulaC22H24ClN
  • Average mass337.886 Da
  • Monoisotopic mass337.159729 Da
  • ChemSpider ID115284770

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-3'-Chloro-N,N-dimethyl-10',11'-dihydrospiro[cyclohex-2-ene-1,5'-dibenzo[a,d][7]annulen]-4-amine [ACD/IUPAC Name]
Spiro[cyclohex-2-ene-1,5'-[5H]dibenzo[a,d]cyclohepten]-4-amine, 3'-chloro-10',11'-dihydro-N,N-dimethyl-, (1S,4R)- [ACD/Index Name]
(1R,4S)-5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-amine
61955-05-3 [RN]
A23887

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 26.51
ACD/KOC (pH 5.5): 60.97
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 1128.20
ACD/KOC (pH 7.4): 2594.63
Polar Surface Area: 3 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 286.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement