ChemSpider 2D Image | Mirogabalin | C12H19NO2

Mirogabalin

  • Molecular FormulaC12H19NO2
  • Average mass209.285 Da
  • Monoisotopic mass209.141586 Da
  • ChemSpider ID32701007
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid [ACD/IUPAC Name]
[(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]essigsäure [German] [ACD/IUPAC Name]
1138245-13-2 [RN]
9767
Acide [(1R,5S,6S)-6-(aminométhyl)-3-éthylbicyclo[3.2.0]hept-3-én-6-yl]acétique [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)- [ACD/Index Name]
Mirogabalin [USAN] [Wiki]
mirogabalina [Spanish] [INN]
mirogabaline [French] [INN]
mirogabalinum [Latin] [INN]
More...

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

A200-0700 [DBID]
DS-5565 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 357.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.2±6.0 kJ/mol
Flash Point: 170.0±20.4 °C
Index of Refraction: 1.527
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 189.4±3.0 cm3

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