ChemSpider 2D Image | (S)-azabuperone | C17H23FN2O

(S)-azabuperone

  • Molecular FormulaC17H23FN2O
  • Average mass290.376 Da
  • Monoisotopic mass290.179443 Da
  • ChemSpider ID34988701

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-azabuperone
1-(4-Fluorophenyl)-4-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-butanone [ACD/IUPAC Name]
1-(4-Fluorophényl)-4-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-butanone [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-4-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-(4-fluorophenyl)-4-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]- [ACD/Index Name]
2856-81-7 [RN]
Azabuperone [INN]
AZABUPERONE, (S)-
UNII-9P043590EX

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

WX783YBJ7A [DBID]
UNII:WX783YBJ7A [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±25.9 °C
Index of Refraction: 1.572
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 38.88
Polar Surface Area: 24 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

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