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Search term: KAASBHZREPPLNR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(4-Chlorobenzyl)-1-(3-methyl-1H-1,2,4-triazol-5-yl)-1-phenylmethanamine | C17H17ClN4

N-(4-Chlorobenzyl)-1-(3-methyl-1H-1,2,4-triazol-5-yl)-1-phenylmethanamine

  • Molecular FormulaC17H17ClN4
  • Average mass312.797 Da
  • Monoisotopic mass312.114166 Da
  • ChemSpider ID30488596

More details:

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

1H-1,2,4-Triazole-3-methanamine, N-[(4-chlorophenyl)methyl]-5-methyl-α-phenyl- [ACD/Index Name]
N-(4-Chlorbenzyl)-1-(3-methyl-1H-1,2,4-triazol-5-yl)-1-phenylmethanamin [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-(3-methyl-1H-1,2,4-triazol-5-yl)-1-phenylmethanamine [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-(3-méthyl-1H-1,2,4-triazol-5-yl)-1-phénylméthanamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 216.72
ACD/KOC (pH 5.5): 1530.60
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.65
ACD/KOC (pH 7.4): 1925.65
Polar Surface Area: 54 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 248.6±3.0 cm3

Click to predict properties on the Chemicalize site


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