ChemSpider 2D Image | (2R)-2-Amino-4,5-hexadienoic acid | C6H9NO2

(2R)-2-Amino-4,5-hexadienoic acid

  • Molecular FormulaC6H9NO2
  • Average mass127.141 Da
  • Monoisotopic mass127.063332 Da
  • ChemSpider ID61620353

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-4,5-hexadienoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4,5-hexadiensäure [German] [ACD/IUPAC Name]
4,5-Hexadienoic acid, 2-amino-, (2R)- [ACD/Index Name]
Acide (2R)-2-amino-4,5-hexadiénoïque [French] [ACD/IUPAC Name]
244221-37-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 259.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.7±6.0 kJ/mol
Flash Point: 110.6±24.6 °C
Index of Refraction: 1.489
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 24.3±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

Click to predict properties on the Chemicalize site


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