ChemSpider 2D Image | (3-{[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone | C14H21N7O

(3-{[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID22520954

More details:






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

(3-{[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(Aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone [ACD/IUPAC Name]
(3-{[4-(Aminométhyl)-1H-1,2,3-triazol-1-yl]méthyl}-1-pipéridinyl)(1-méthyl-1H-imidazol-2-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl]-1-piperidinyl](1-methyl-1H-imidazol-2-yl)- [ACD/Index Name]
1-[1-({1-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidin-3-yl}methyl)-1H-1,2,3-triazol-4-yl]methanamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 543.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.3±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 95 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

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