ChemSpider 2D Image | (2R)-N,N-Dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)-2-propanamine | C16H19N3S

(2R)-N,N-Dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)-2-propanamine

  • Molecular FormulaC16H19N3S
  • Average mass285.407 Da
  • Monoisotopic mass285.129974 Da
  • ChemSpider ID26401362

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-N,N-Dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2R)-N,N-Dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)-2-propanamine [ACD/IUPAC Name]
(2R)-N,N-Diméthyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)-2-propanamine [French] [ACD/IUPAC Name]
10H-Pyrido[3,2-b][1,4]benzothiazine-10-ethanamine, N,N,α-trimethyl-, (αR)- [ACD/Index Name]
207-578-5 [EINECS]
482-15-5 [RN]
isothipendyl [INN]
UNII-WVZ7K9P0JY

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.6±27.3 °C
Index of Refraction: 1.620
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 31.65
ACD/KOC (pH 7.4): 175.98
Polar Surface Area: 45 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 244.6±3.0 cm3

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