ChemSpider 2D Image | 2-Methoxyethyl 4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-piperidinecarboxylate | C16H29N5O3

2-Methoxyethyl 4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-piperidinecarboxylate

  • Molecular FormulaC16H29N5O3
  • Average mass339.433 Da
  • Monoisotopic mass339.227051 Da
  • ChemSpider ID29679353

More details:

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

1-Piperidinecarboxylic acid, 4-[5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]-, 2-methoxyethyl ester [ACD/Index Name]
2-Methoxyethyl 4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methoxyethyl-4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{5-[(Diméthylamino)méthyl]-4-éthyl-4H-1,2,4-triazol-3-yl}-1-pipéridinecarboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-methoxyethyl 4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.4±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 51.29
Polar Surface Area: 73 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 281.7±7.0 cm3

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