ChemSpider 2D Image | N-DEACETYLSHERMILAMINE B | C19H16N4OS

N-DEACETYLSHERMILAMINE B

  • Molecular FormulaC19H16N4OS
  • Average mass348.422 Da
  • Monoisotopic mass348.104492 Da
  • ChemSpider ID21431304

More details:

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

9-(2-Aminoethyl)-8,13-dihydropyrido[4,3,2-mn][1,4]thiazino[3,2-b]acridin-12(11H)-on [German] [ACD/IUPAC Name]
9-(2-Aminoethyl)-8,13-dihydropyrido[4,3,2-mn][1,4]thiazino[3,2-b]acridin-12(11H)-one [ACD/IUPAC Name]
9-(2-Aminoéthyl)-8,13-dihydropyrido[4,3,2-mn][1,4]thiazino[3,2-b]acridin-12(11H)-one [French] [ACD/IUPAC Name]
N-DEACETYLSHERMILAMINE B
Pyrido[4,3,2-mn][1,4]thiazino[3,2-b]acridin-12(11H)-one, 9-(2-aminoethyl)-8,13-dihydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.844
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 109 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 218.5±7.0 cm3

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