ChemSpider 2D Image | 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-{[(2S)-3-oxo-2-butanyl]oxy}benzamide | C17H26ClN3O3

4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-{[(2S)-3-oxo-2-butanyl]oxy}benzamide

  • Molecular FormulaC17H26ClN3O3
  • Average mass355.860 Da
  • Monoisotopic mass355.166260 Da
  • ChemSpider ID34991119

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Amino-5-chlor-N-[2-(diethylamino)ethyl]-2-{[(2S)-3-oxo-2-butanyl]oxy}benzamid [German] [ACD/IUPAC Name]
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-{[(2S)-3-oxo-2-butanyl]oxy}benzamide [ACD/IUPAC Name]
4-Amino-5-chloro-N-[2-(diéthylamino)éthyl]-2-{[(2S)-3-oxo-2-butanyl]oxy}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[(1S)-1-methyl-2-oxopropoxy]- [ACD/Index Name]
102670-46-2 [RN]
Batanopride [Wiki]
BATANOPRIDE, (S)-
UNII-1AT99K728N

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

DT1ET3N52B [DBID]
UNII:DT1ET3N52B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.1±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 85 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

Click to predict properties on the Chemicalize site


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