ChemSpider 2D Image | 1-[(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]-4-piperidinol | C22H28N2O2S

1-[(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]-4-piperidinol

  • Molecular FormulaC22H28N2O2S
  • Average mass384.535 Da
  • Monoisotopic mass384.187134 Da
  • ChemSpider ID32809813

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]-4-piperidinol [German] [ACD/IUPAC Name]
1-[(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]-4-piperidinol [ACD/IUPAC Name]
1-[(2S)-3-(2-Méthoxy-10H-phénothiazin-10-yl)-2-méthylpropyl]-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[(2S)-3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 9.42
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 76.41
ACD/KOC (pH 7.4): 337.78
Polar Surface Area: 61 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 322.1±3.0 cm3

Click to predict properties on the Chemicalize site


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