ChemSpider 2D Image | N-(4-Methoxybenzyl)-2-methylalanine | C12H17NO3

N-(4-Methoxybenzyl)-2-methylalanine

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID25725112

More details:

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

Alanine, N-[(4-methoxyphenyl)methyl]-2-methyl- [ACD/Index Name]
N-(4-Methoxybenzyl)-2-methylalanin [German] [ACD/IUPAC Name]
N-(4-Methoxybenzyl)-2-methylalanine [ACD/IUPAC Name]
N-(4-Méthoxybenzyl)-2-méthylalanine [French] [ACD/IUPAC Name]
1250515-48-0 [RN]
2-[(4-methoxyphenyl) methylamino]-2-methyl-propanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 362.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 173.0±23.7 °C
Index of Refraction: 1.530
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 199.3±3.0 cm3

Click to predict properties on the Chemicalize site


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