ChemSpider 2D Image | (3S)-6-Acetamido-3-aminohexanoic acid | C8H16N2O3

(3S)-6-Acetamido-3-aminohexanoic acid

  • Molecular FormulaC8H16N2O3
  • Average mass188.224 Da
  • Monoisotopic mass188.116089 Da
  • ChemSpider ID57537483

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-6-Acetamido-3-aminohexanoic acid [ACD/IUPAC Name]
(3S)-6-Acetamido-3-aminohexansäure [German] [ACD/IUPAC Name]
Acide (3S)-6-acétamido-3-aminohexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-(acetylamino)-3-amino-, (3S)- [ACD/Index Name]
(3S)-6-acetamido-3-aminohexanoate
(3S)-6-acetamido-3-azaniumylhexanoate
(S)-6-Acetamido-3-aminohexanoic acid
(S)-6-acetamido-3-aminohexanoic acid zwitterion
131887-44-0 [RN]
40139-10-4 [RN]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 449.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 225.4±27.3 °C
Index of Refraction: 1.490
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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