ChemSpider 2D Image | 2-[(4-Methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline | C14H17N3

2-[(4-Methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC14H17N3
  • Average mass227.305 Da
  • Monoisotopic mass227.142242 Da
  • ChemSpider ID22492403

More details:






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

2-[(4-Methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-[(4-Méthyl-1H-imidazol-5-yl)méthyl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[(4-Methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methyl-1H-imidazol-5-yl)methyl]- [ACD/Index Name]
2-(5-METHYL-3H-IMIDAZOL-4-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
2L1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 435.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.1±27.3 °C
Index of Refraction: 1.626
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 65.64
Polar Surface Area: 32 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 193.4±3.0 cm3

Click to predict properties on the Chemicalize site






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