ChemSpider 2D Image | AB-PINACA-d9 | C18H17D9N4O2

AB-PINACA-d9

  • Molecular FormulaC18H17D9N4O2
  • Average mass339.480 Da
  • Monoisotopic mass339.262054 Da
  • ChemSpider ID29763746

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]
AB-PINACA-d9
AB-PINACA-d9 (exempt preparation)
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(pentyl-2,2',3,3',4,4',5,5,5-d9)-1H-indazole-3-carboxamide
2484976-98-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.3±24.6 °C
Index of Refraction: 1.598
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.96
ACD/KOC (pH 5.5): 953.32
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.89
ACD/KOC (pH 7.4): 952.65
Polar Surface Area: 90 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 274.3±7.0 cm3

Click to predict properties on the Chemicalize site


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