ChemSpider 2D Image | (2R)-2-(Methylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate | C21H27NO5

(2R)-2-(Methylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC21H27NO5
  • Average mass373.443 Da
  • Monoisotopic mass373.188934 Da
  • ChemSpider ID32798060
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-(Methylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(2R)-2-(Methylamino)-2-phenylbutyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de (2R)-2-(méthylamino)-2-phénylbutyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (2R)-2-(methylamino)-2-phenylbutyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.5±25.7 °C
Index of Refraction: 1.533
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 12.60
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 95.51
ACD/KOC (pH 7.4): 627.92
Polar Surface Area: 66 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

Click to predict properties on the Chemicalize site






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