ChemSpider 2D Image | (2S)-N,N-Dimethyl-2-(10H-phenothiazin-10-yl)-1-propanamine | C17H20N2S

(2S)-N,N-Dimethyl-2-(10H-phenothiazin-10-yl)-1-propanamine

  • Molecular FormulaC17H20N2S
  • Average mass284.419 Da
  • Monoisotopic mass284.134705 Da
  • ChemSpider ID34983528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N,N-Dimethyl-2-(10H-phenothiazin-10-yl)-1-propanamin [German] [ACD/IUPAC Name]
(2S)-N,N-Dimethyl-2-(10H-phenothiazin-10-yl)-1-propanamine [ACD/IUPAC Name]
(2S)-N,N-Diméthyl-2-(10H-phénothiazin-10-yl)-1-propanamine [French] [ACD/IUPAC Name]
10H-Phenothiazine-10-ethanamine, N,N,β-trimethyl-, (βS)- [ACD/Index Name]
303-14-0 [RN]
Isopromethazine [Wiki]
UNII-044033O3TY

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.8±25.7 °C
Index of Refraction: 1.623
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 8.64
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 52.77
ACD/KOC (pH 7.4): 218.70
Polar Surface Area: 32 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 249.0±3.0 cm3

Click to predict properties on the Chemicalize site


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