ChemSpider 2D Image | 2-{[3-Phenyl-2-(sulfanylmethyl)butanoyl]amino}propanoate | C14H18NO3S

2-{[3-Phenyl-2-(sulfanylmethyl)butanoyl]amino}propanoate

  • Molecular FormulaC14H18NO3S
  • Average mass280.363 Da
  • Monoisotopic mass280.101288 Da
  • ChemSpider ID21200402

  • Charge - Charge

More details:

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

2-{[3-Phenyl-2-(sulfanylmethyl)butanoyl]amino}propanoat [German] [ACD/IUPAC Name]
2-{[3-Phenyl-2-(sulfanylmethyl)butanoyl]amino}propanoate [ACD/IUPAC Name]
2-{[3-Phényl-2-(sulfanylméthyl)butanoyl]amino}propanoate [French] [ACD/IUPAC Name]
Alanine, N-[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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