ChemSpider 2D Image | (3R)-1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine | C20H23NS

(3R)-1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine

  • Molecular FormulaC20H23NS
  • Average mass309.468 Da
  • Monoisotopic mass309.155121 Da
  • ChemSpider ID32807561

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidin [German] [ACD/IUPAC Name]
(3R)-1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine [ACD/IUPAC Name]
(3R)-1-Méthyl-3-(9H-thioxanthén-9-ylméthyl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, (3R)- [ACD/Index Name]
(3S)-1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine [ACD/IUPAC Name]
225-610-6 [EINECS]
4969-02-2 [RN]
CAS-1553-34-0
Methixene
UNII-32VY6L26ZW

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

NCGC00016587-01 [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: 419.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.6±22.9 °C
Index of Refraction: 1.610
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 20.75
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 82.01
ACD/KOC (pH 7.4): 216.87
Polar Surface Area: 29 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 276.7±3.0 cm3

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