ChemSpider 2D Image | APINACA | C23H31N3O

APINACA

  • Molecular FormulaC23H31N3O
  • Average mass365.512 Da
  • Monoisotopic mass365.246704 Da
  • ChemSpider ID28189076

More details:






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

1345973-53-6 [RN]
1H-Indazole-3-carboxamide, 1-pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
AKB48
AKB-48
APINACA [Wiki]
N-(Adamantan-1-yl)-1-pentyl-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
1-pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-1H-indazole-3-carboxamide
1-Pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 568.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±22.6 °C
Index of Refraction: 1.684
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10009.22
ACD/KOC (pH 5.5): 25414.15
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10009.06
ACD/KOC (pH 7.4): 25413.76
Polar Surface Area: 47 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 282.1±7.0 cm3

Click to predict properties on the Chemicalize site





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