ChemSpider 2D Image | 2-[4-(4,5-Dihydro-1,2-oxazol-3-yloxy)-2-butyn-1-yl]-2-methyl-1,2,3,4-tetrahydroisoquinolinium | C17H21N2O2

2-[4-(4,5-Dihydro-1,2-oxazol-3-yloxy)-2-butyn-1-yl]-2-methyl-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC17H21N2O2
  • Average mass285.360 Da
  • Monoisotopic mass285.159760 Da
  • ChemSpider ID25049243

  • Charge - Charge

More details:

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

2-[4-(4,5-Dihydro-1,2-oxazol-3-yloxy)-2-butin-1-yl]-2-methyl-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
2-[4-(4,5-Dihydro-1,2-oxazol-3-yloxy)-2-butyn-1-yl]-2-méthyl-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
2-[4-(4,5-Dihydro-1,2-oxazol-3-yloxy)-2-butyn-1-yl]-2-methyl-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
Isoquinolinium, 2-[4-[(4,5-dihydro-3-isoxazolyl)oxy]-2-butyn-1-yl]-1,2,3,4-tetrahydro-2-methyl- [ACD/Index Name]
CHEMBL396845

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 31 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement