ChemSpider 2D Image | 4-Amino-1-benzoylproline | C12H14N2O3

4-Amino-1-benzoylproline

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID25071075

More details:

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

4-Amino-1-benzoylprolin [German] [ACD/IUPAC Name]
4-Amino-1-benzoylproline [ACD/IUPAC Name]
4-Amino-1-benzoylproline [French] [ACD/IUPAC Name]
Proline, 4-amino-1-benzoyl- [ACD/Index Name]
(2S,4S)-4-AMINO-1-BENZOYL-PYRROLIDINE-2-CARBOXYLIC ACID
176439-44-4 [RN]
4-amino-1-benzoyl-2-pyrrolidinecarboxylic acid
4-AMINO-1-BENZOYLPYRROLIDINE-2-CARBOXYLIC ACID
MFCD03788065 [MDL number]
tert-Butyl 3-((1-(thiazol-2-yl)ethyl)amino)pyrrolidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


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