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Search term: WNPRWIUDHVJPCD-INIZCTEOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2-Aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide | C18H21N3O2

N-(2-Aminoethyl)-Nα-benzoyl-L-phenylalaninamide

  • Molecular FormulaC18H21N3O2
  • Average mass311.378 Da
  • Monoisotopic mass311.163391 Da
  • ChemSpider ID59053397

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, N-(2-aminoethyl)-α-(benzoylamino)-, (αS)- [ACD/Index Name]
N-(2-Aminoethyl)-Nα-benzoyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-Nα-benzoyl-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-Nα-benzoyl-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.96
Polar Surface Area: 84 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 266.5±3.0 cm3

Click to predict properties on the Chemicalize site


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