ChemSpider 2D Image | 2,5,?-trimethoxy-4-methylbenzeneethanamine | C12H19NO3

2,5,?-trimethoxy-4-methylbenzeneethanamine

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID21106262

More details:






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

2-(2,5-Dimethoxy-4-methylphenyl)-2-methoxyethanamin [German] [ACD/IUPAC Name]
2-(2,5-Dimethoxy-4-methylphenyl)-2-methoxyethanamine [ACD/IUPAC Name]
2-(2,5-Diméthoxy-4-méthylphényl)-2-méthoxyéthanamine [French] [ACD/IUPAC Name]
2,5,?-trimethoxy-4-methylbenzeneethanamine
2,5,β-TRIMETHOXY-4-METHYLBENZENEETHANAMINE
98537-41-8 [RN]
Benzeneethanamine, β,2,5-trimethoxy-4-methyl- [ACD/Index Name]
2-(2,5-Dimethoxy-4-methylphenyl)-2-methoxyethan-1-amine
2-(2,5-dimethoxy-4-methylphenyl)-2-methoxyethylamine
Benzeneethanamine, β,2,5-trimethoxy-4-methyl-

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

9PXE981731 [DBID]
UNII:9PXE981731 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 167.8±21.6 °C
Index of Refraction: 1.510
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 54.09
Polar Surface Area: 54 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

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