ChemSpider 2D Image | 1-(3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-(2-methoxyethoxy)ethanone | C16H29N5O3

1-(3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-(2-methoxyethoxy)ethanone

  • Molecular FormulaC16H29N5O3
  • Average mass339.433 Da
  • Monoisotopic mass339.227051 Da
  • ChemSpider ID29680607

More details:

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

1-(3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-(2-methoxyethoxy)ethanon [German] [ACD/IUPAC Name]
1-(3-{5-[(Dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-(2-methoxyethoxy)ethanone [ACD/IUPAC Name]
1-(3-{5-[(Diméthylamino)méthyl]-4-méthyl-4H-1,2,4-triazol-3-yl}-1-pipéridinyl)-2-(2-méthoxyéthoxy)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperidinyl]-2-(2-methoxyethoxy)- [ACD/Index Name]
1-(5-{1-[(2-methoxyethoxy)acetyl]piperidin-3-yl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 521.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±32.9 °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: -0.54
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.21
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

Click to predict properties on the Chemicalize site


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