ChemSpider 2D Image | 3-(1H-Benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine | C19H19N3O3

3-(1H-Benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine

  • Molecular FormulaC19H19N3O3
  • Average mass337.372 Da
  • Monoisotopic mass337.142639 Da
  • ChemSpider ID24648351

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-2-propanoic acid, α-[(1-oxo-3-phenylpropyl)amino]-, (αR)- [ACD/Index Name]
3-(1H-Benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanin [German] [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(3-phénylpropanoyl)-D-alanine [French] [ACD/IUPAC Name]
4C0

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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