ChemSpider 2D Image | 2,5-DIMETHOXY-4-((2-METHOXYETHYL)THIO)PHENETHYLAMINE | C13H21NO3S

2,5-DIMETHOXY-4-((2-METHOXYETHYL)THIO)PHENETHYLAMINE

  • Molecular FormulaC13H21NO3S
  • Average mass271.376 Da
  • Monoisotopic mass271.124207 Da
  • ChemSpider ID21106228

More details:

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

2,5-DIMETHOXY-4-((2-METHOXYETHYL)THIO)PHENETHYLAMINE
2-{2,5-Dimethoxy-4-[(2-methoxyethyl)sulfanyl]phenyl}ethanamin [German] [ACD/IUPAC Name]
2-{2,5-Dimethoxy-4-[(2-methoxyethyl)sulfanyl]phenyl}ethanamine [ACD/IUPAC Name]
2-{2,5-Diméthoxy-4-[(2-méthoxyéthyl)sulfanyl]phényl}éthanamine [French] [ACD/IUPAC Name]
207740-30-5 [RN]
Benzeneethanamine, 2,5-dimethoxy-4-[(2-methoxyethyl)thio]- [ACD/Index Name]
2,5-dimethoxy-4-(2-methoxyethyl)thiophenethylamine
2-[2,5-Dimethoxy-4-(2-methoxy-ethylsulfanyl)-phenyl]-ethylamine
2-{2,5-Dimethoxy-4-[(2-methoxyethyl)sulfanyl]phenyl}ethan-1-amine
2C-T-13
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SK8JCS3S9B [DBID]
UNII:SK8JCS3S9B [DBID]
UNII-SK8JCS3S9B [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 390.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 189.9±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 79 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 240.1±5.0 cm3

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