ChemSpider 2D Image | 2,5-dimethoxy-4-(isopropylthio)phenethylamine | C13H21NO2S

2,5-dimethoxy-4-(isopropylthio)phenethylamine

  • Molecular FormulaC13H21NO2S
  • Average mass255.376 Da
  • Monoisotopic mass255.129303 Da
  • ChemSpider ID21106232

More details:

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

2,5-dimethoxy-4-(isopropylthio)phenethylamine
2,5-dimethoxy-4-isopropylthiophenethylamine
2-[2,5-dimethoxy-4-(propan-2-ylsulfanyl)phenyl]ethanamine
2-[4-(Isopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)-2,5-dimethoxyphenyl]ethanamine [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)-2,5-diméthoxyphényl]éthanamine [French] [ACD/IUPAC Name]
207740-25-8 [RN]
2-C-T-4
Benzeneethanamine, 2,5-dimethoxy-4-[(1-methylethyl)thio]- [ACD/Index Name]
2-(4-Isopropylsulfanyl-2,5-dimethoxy-phenyl)-ethylamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

558WSD71D4 [DBID]
UNII:558WSD71D4 [DBID]
UNII-558WSD71D4 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.0±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.54
Polar Surface Area: 70 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 234.6±5.0 cm3

Click to predict properties on the Chemicalize site


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