ChemSpider 2D Image | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-METHOXYNONANOIC ACID | C20H33NO3

2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-METHOXYNONANOIC ACID

  • Molecular FormulaC20H33NO3
  • Average mass335.481 Da
  • Monoisotopic mass335.246033 Da
  • ChemSpider ID16743816

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,6R,8S,9S)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyldecanoic acid [ACD/IUPAC Name]
(2S,3S,6R,8S,9S)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyldecansäure [German] [ACD/IUPAC Name]
2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-METHOXYNONANOIC ACID
Acide (2S,3S,6R,8S,9S)-3-amino-9-méthoxy-2,6,8-triméthyl-10-phényldécanoïque [French] [ACD/IUPAC Name]
Benzenedecanoic acid, β-amino-thη-methoxy-α,ε,η-trimethyl-, (αS,βS,εR,etaS,thetaS)- [ACD/Index Name]
AB3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 474.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.5±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.15
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 73 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 326.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement