ChemSpider 2D Image | 2-[4-(Cyclopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine | C13H19NO2S

2-[4-(Cyclopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine

  • Molecular FormulaC13H19NO2S
  • Average mass253.361 Da
  • Monoisotopic mass253.113647 Da
  • ChemSpider ID21106229

More details:






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

2-[4-(Cyclopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-(Cyclopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine [ACD/IUPAC Name]
2-[4-(Cyclopropylsulfanyl)-2,5-diméthoxyphényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-(cyclopropylthio)-2,5-dimethoxy- [ACD/Index Name]
4-(CYCLOPROPYLTHIO)-2,5-DIMETHOXYPHENETHYLAMINE
952006-95-0 [RN]
UNII-4DC109467K

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 388.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.584
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 70 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

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