ChemSpider 2D Image | N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine | C16H14Cl2N4O

N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine

  • Molecular FormulaC16H14Cl2N4O
  • Average mass349.215 Da
  • Monoisotopic mass348.054474 Da
  • ChemSpider ID21795773

More details:






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

4H-1,2,4-Triazol-3-amine, N-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]- [ACD/Index Name]
N-{3-[(2,6-Dichlorbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amin [German] [ACD/IUPAC Name]
N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine [ACD/IUPAC Name]
N-{3-[(2,6-Dichlorobenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine [French] [ACD/IUPAC Name]
[3-(2,6-Dichloro-benzyloxy)-benzyl]-(4H-[1,2,4]triazol-3-yl)-amine
341009-81-2 [RN]
AG-205/12075213
AGN-PC-049IR8
AKOS002655115
MCULE-4992607898
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 555.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1681.46
ACD/KOC (pH 5.5): 7018.97
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1739.27
ACD/KOC (pH 7.4): 7260.28
Polar Surface Area: 63 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

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