ChemSpider 2D Image | (2S)-2-Amino-3-oxopropyl hexanoate | C9H17NO3

(2S)-2-Amino-3-oxopropyl hexanoate

  • Molecular FormulaC9H17NO3
  • Average mass187.236 Da
  • Monoisotopic mass187.120850 Da
  • ChemSpider ID35034846

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-oxopropyl hexanoate [ACD/IUPAC Name]
(2S)-2-Amino-3-oxopropyl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (2S)-2-amino-3-oxopropyle [French] [ACD/IUPAC Name]
Hexanoic acid, (2S)-2-amino-3-oxopropyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 276.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 105.8±22.3 °C
Index of Refraction: 1.453
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 4.93
ACD/KOC (pH 5.5): 95.98
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.64
ACD/KOC (pH 7.4): 148.89
Polar Surface Area: 69 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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