ChemSpider 2D Image | 3-(5-{[(3-Phenyl-2-propyn-1-yl)(propyl)amino]methyl}-3-thienyl)-2-propyn-1-ol | C20H21NOS

3-(5-{[(3-Phenyl-2-propyn-1-yl)(propyl)amino]methyl}-3-thienyl)-2-propyn-1-ol

  • Molecular FormulaC20H21NOS
  • Average mass323.452 Da
  • Monoisotopic mass323.134369 Da
  • ChemSpider ID29577836

More details:

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

2-Propyn-1-ol, 3-[5-[[(3-phenyl-2-propyn-1-yl)propylamino]methyl]-3-thienyl]- [ACD/Index Name]
3-(5-{[(3-Phenyl-2-propin-1-yl)(propyl)amino]methyl}-3-thienyl)-2-propin-1-ol [German] [ACD/IUPAC Name]
3-(5-{[(3-Phenyl-2-propyn-1-yl)(propyl)amino]methyl}-3-thienyl)-2-propyn-1-ol [ACD/IUPAC Name]
3-(5-{[(3-Phényl-2-propyn-1-yl)(propyl)amino]méthyl}-3-thiényl)-2-propyn-1-ol [French] [ACD/IUPAC Name]
3-(5-{[(3-phenylprop-2-yn-1-yl)(propyl)amino]methyl}-3-thienyl)prop-2-yn-1-ol
3-(5-{[(3-PHENYLPROP-2-YN-1-YL)(PROPYL)AMINO]METHYL}THIOPHEN-3-YL)PROP-2-YN-1-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1102.20
ACD/KOC (pH 5.5): 4409.83
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1999.87
ACD/KOC (pH 7.4): 8001.36
Polar Surface Area: 52 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 273.8±5.0 cm3

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