ChemSpider 2D Image | (3S)-3-Amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)-2-butanone | C20H21N3O2

(3S)-3-Amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)-2-butanone

  • Molecular FormulaC20H21N3O2
  • Average mass335.400 Da
  • Monoisotopic mass335.163391 Da
  • ChemSpider ID25042419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)-2-butanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)-2-butanone [ACD/IUPAC Name]
(3S)-3-Amino-1-[4-(benzyloxy)phényl]-4-(1H-imidazol-4-yl)-2-butanone [French] [ACD/IUPAC Name]
(3s)-3-Amino-1-[4-(Benzyloxy)phenyl]-4-(1h-Imidazol-4-Yl)butan-2-One
2-Butanone, 3-amino-4-(1H-imidazol-4-yl)-1-[4-(phenylmethoxy)phenyl]-, (3S)- [ACD/Index Name]
0VD

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 9.55
ACD/KOC (pH 7.4): 145.56
Polar Surface Area: 81 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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