ChemSpider 2D Image | Ethyl (2S)-2-(3-chlorobenzyl)-3-(methylamino)propanoate | C13H18ClNO2

Ethyl (2S)-2-(3-chlorobenzyl)-3-(methylamino)propanoate

  • Molecular FormulaC13H18ClNO2
  • Average mass255.740 Da
  • Monoisotopic mass255.102600 Da
  • ChemSpider ID32798811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Chlorobenzyl)-3-(méthylamino)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-chloro-α-[(methylamino)methyl]-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-(3-chlorobenzyl)-3-(methylamino)propanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-(3-chlorbenzyl)-3-(methylamino)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 167.0±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.45
Polar Surface Area: 38 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement