ChemSpider 2D Image | 9-(2-Aminoethyl)-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol | C9H11NO2S5

9-(2-Aminoethyl)-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol

  • Molecular FormulaC9H11NO2S5
  • Average mass325.514 Da
  • Monoisotopic mass324.939331 Da
  • ChemSpider ID57454522

More details:

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

1,2,3,4,5-Benzopentathiepin-6-ol, 9-(2-aminoethyl)-7-methoxy- [ACD/Index Name]
9-(2-Aminoethyl)-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol [German] [ACD/IUPAC Name]
9-(2-Aminoethyl)-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol [ACD/IUPAC Name]
9-(2-Aminoéthyl)-7-méthoxy-1,2,3,4,5-benzopentathiépin-6-ol [French] [ACD/IUPAC Name]
1,2,3,4,5-BENZOPENTATHIEPIN-6-OL,9-(2-AMINOETHYL)-7-METHOXY-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 548.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 285.4±32.9 °C
Index of Refraction: 1.766
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.97
Polar Surface Area: 182 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 210.3±3.0 cm3

Click to predict properties on the Chemicalize site


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