ChemSpider 2D Image | (2R)-Amino[(2,3,4,5,6-~2~H_5_)-1,4-cyclohexadien-1-yl]acetic acid | C8H6D5NO2

(2R)-Amino[(2,3,4,5,6-2H5)-1,4-cyclohexadien-1-yl]acetic acid

  • Molecular FormulaC8H6D5NO2
  • Average mass158.209 Da
  • Monoisotopic mass158.110367 Da
  • ChemSpider ID107446623

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-Amino[(2,3,4,5,6-2H5)-1,4-cyclohexadien-1-yl]acetic acid [ACD/IUPAC Name]
(2R)-Amino[(2,3,4,5,6-2H5)-1,4-cyclohexadien-1-yl]essigsäure [German] [ACD/IUPAC Name]
1,4-Cyclohexadiene-2,3,4,5,6-d5-1-acetic acid, α-amino-, (αR)- [ACD/Index Name]
Acide (2R)-amino[(2,3,4,5,6-2H5)-1,4-cyclohexadién-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 279.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.0±6.0 kJ/mol
Flash Point: 122.8±27.3 °C
Index of Refraction: 1.574
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 124.9±3.0 cm3

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