ChemSpider 2D Image | (2S)-3-Ammonio-2-(3-methylphenyl)propanoate | C10H13NO2

(2S)-3-Ammonio-2-(3-methylphenyl)propanoate

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID32792107

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Ammonio-2-(3-methylphenyl)propanoat [German] [ACD/IUPAC Name]
(2S)-3-Ammonio-2-(3-methylphenyl)propanoate [ACD/IUPAC Name]
(2S)-3-Ammonio-2-(3-méthylphényl)propanoate [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(aminomethyl)-3-methyl-, (αS)- [ACD/Index Name]
(S)-3-(m-tolyl)-β-alanine
701907-44-0 [RN]

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

Density:
Boiling Point: 321.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 148.0±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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