ChemSpider 2D Image | 3-[(2-Methyl-2-propanyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolinium | C14H21N2O

3-[(2-Methyl-2-propanyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC14H21N2O
  • Average mass233.329 Da
  • Monoisotopic mass233.164841 Da
  • ChemSpider ID95782574

  • Charge - Charge

More details:

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

3-[(2-Methyl-2-propanyl)carbamoyl]-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
3-[(2-Méthyl-2-propanyl)carbamoyl]-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
3-[(2-Methyl-2-propanyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 426.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 166.9±25.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 62.88
Polar Surface Area: 46 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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