ChemSpider 2D Image | Gabapentin-d4 | C9H13D4NO2

Gabapentin-d4

  • Molecular FormulaC9H13D4NO2
  • Average mass175.261 Da
  • Monoisotopic mass175.151031 Da
  • ChemSpider ID23936191
  • Non-standard isotope - Non-standard isotope


More details:






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

{1-[Amino(2H2)methyl]cyclohexyl}(2H2)acetic acid [ACD/IUPAC Name]
{1-[Amino(2H2)methyl]cyclohexyl}(2H2)essigsäure [German] [ACD/IUPAC Name]
1185039-20-6 [RN]
Acide {1-[amino(2H2)méthyl]cyclohexyl}(2H2)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic-d2 acid, 1-(aminomethyl-d2)- [ACD/Index Name]
Gabapentin-d4
1-(aminomethyl)cyclohexaneacetic acid
1-?(aminomethyl-?d2)?-cyclohexaneacetic-??,??-?d2 acid
2-[1-[amino(dideuterio)methyl]cyclohexyl]-2,2-dideuterioacetic acid
Gabapentin-d4 (aminomethyl-d2; acetic-d2 acid)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 314.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.1±6.0 kJ/mol
Flash Point: 144.0±20.4 °C
Index of Refraction: 1.489
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

Click to predict properties on the Chemicalize site






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