ChemSpider 2D Image | 5-chloro AB-PINACA | C18H25ClN4O2

5-chloro AB-PINACA

  • Molecular FormulaC18H25ClN4O2
  • Average mass364.870 Da
  • Monoisotopic mass364.166595 Da
  • ChemSpider ID35519227

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1801552-02-2 [RN]
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(5-chloropentyl)- [ACD/Index Name]
5-chloro AB-PINACA
5-CHLORO-AB-PINACA
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(5-chloropentyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(5-chloropentyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(5-chlorpentyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
(2S)-2-{[1-(5-CHLOROPENTYL)-1H-INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(2S)-2-{[1-(5-CHLOROPENTYL)INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-(5-CHLOROPENTYL)-1H-INDAZOLE-3-CARBOXAMIDE
More...

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

15Q075Q5LO [DBID]
UNII:15Q075Q5LO [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.1±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.20
ACD/KOC (pH 5.5): 809.98
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.15
ACD/KOC (pH 7.4): 809.43
Polar Surface Area: 90 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 284.4±7.0 cm3

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