ChemSpider 2D Image | (2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methyl-N,N-bis[(~2~H_3_)methyl]-1-propanamine | C19H18D6N2OS

(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methyl-N,N-bis[(2H3)methyl]-1-propanamine

  • Molecular FormulaC19H18D6N2OS
  • Average mass334.509 Da
  • Monoisotopic mass334.198608 Da
  • ChemSpider ID68906002

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methyl-N,N-bis[(2H3)methyl]-1-propanamin [German] [ACD/IUPAC Name]
(2S)-3-(2-Methoxy-10H-phenothiazin-10-yl)-2-methyl-N,N-bis[(2H3)methyl]-1-propanamine [ACD/IUPAC Name]
(2S)-3-(2-Méthoxy-10H-phénothiazin-10-yl)-2-méthyl-N,N-bis[(2H3)méthyl]-1-propanamine [French] [ACD/IUPAC Name]
10H-Phenothiazine-10-propanamine, 2-methoxy-β-methyl-N,N-di(methyl-d3)-, (βS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.8±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 10.69
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 40.84
ACD/KOC (pH 7.4): 143.01
Polar Surface Area: 41 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 291.8±3.0 cm3

Click to predict properties on the Chemicalize site


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