ChemSpider 2D Image | (2S)-2-Methyl-N,N-bis[(~2~H_3_)methyl]-3-(10H-phenothiazin-10-yl)-1-propanamine | C18H16D6N2S

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

  • Molecular FormulaC18H16D6N2S
  • Average mass304.483 Da
  • Monoisotopic mass304.188019 Da
  • ChemSpider ID68905892

  • 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)-2-Methyl-N,N-bis[(2H3)methyl]-3-(10H-phenothiazin-10-yl)-1-propanamin [German] [ACD/IUPAC Name]
(2S)-2-Methyl-N,N-bis[(2H3)methyl]-3-(10H-phenothiazin-10-yl)-1-propanamine [ACD/IUPAC Name]
(2S)-2-Méthyl-N,N-bis[(2H3)méthyl]-3-(10H-phénothiazin-10-yl)-1-propanamine [French] [ACD/IUPAC Name]
10H-Phenothiazine-10-propanamine, 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: 420.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.0±25.7 °C
Index of Refraction: 1.607
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 9.11
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 32.17
ACD/KOC (pH 7.4): 119.89
Polar Surface Area: 32 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 267.8±3.0 cm3

Click to predict properties on the Chemicalize site


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