ChemSpider 2D Image | N-METHYLPREGABALIN | C9H19NO2

N-METHYLPREGABALIN

  • Molecular FormulaC9H19NO2
  • Average mass173.253 Da
  • Monoisotopic mass173.141586 Da
  • ChemSpider ID22547163

More details:

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

5-Methyl-3-[(methylamino)methyl]hexanoic acid [ACD/IUPAC Name]
5-Methyl-3-[(methylamino)methyl]hexansäure [German] [ACD/IUPAC Name]
Acide 5-méthyl-3-[(méthylamino)méthyl]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 5-methyl-3-[(methylamino)methyl]- [ACD/Index Name]
N-METHYLPREGABALIN
(3S)-
(3S)-3-(N-Methylaminomethyl)-5-methylhexanoic Acid
(S)-N-Methyl pregabalin
1155843-61-0 [RN]

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

7RM9G6AN7J [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 281.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.2±6.0 kJ/mol
Flash Point: 123.9±22.6 °C
Index of Refraction: 1.451
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


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