ChemSpider 2D Image | 1-(3-Bromophenyl)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)benzyl]methanamine | C17H17BrN4

1-(3-Bromophenyl)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)benzyl]methanamine

  • Molecular FormulaC17H17BrN4
  • Average mass357.248 Da
  • Monoisotopic mass356.063660 Da
  • ChemSpider ID30139052

More details:

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

1-(3-Bromophenyl)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)benzyl]methanamine [ACD/IUPAC Name]
1-(3-Bromophényl)-N-[4-(1H-1,2,4-triazol-1-ylméthyl)benzyl]méthanamine [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)benzyl]methanamin [German] [ACD/IUPAC Name]
Benzenemethanamine, N-[(3-bromophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 9.11
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 71.35
ACD/KOC (pH 7.4): 466.30
Polar Surface Area: 43 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 258.2±7.0 cm3

Click to predict properties on the Chemicalize site


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