ChemSpider 2D Image | 1-Butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium | C18H29N2O

1-Butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium

  • Molecular FormulaC18H29N2O
  • Average mass289.435 Da
  • Monoisotopic mass289.227448 Da
  • ChemSpider ID21258684
  • Charge - Charge


More details:






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

1-Butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium [German] [ACD/IUPAC Name]
1-Butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium [ACD/IUPAC Name]
1-Butyl-2-[(2,6-diméthylphényl)carbamoyl]pipéridinium [French] [ACD/IUPAC Name]
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, conjugate monoacid [ACD/Index Name]
bupivacaine cation
bupivacaine(1+)
bupivacaine(1+)upivacaine cation
rac-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium
  • Miscellaneous
    • Chemical Class:

      A racemate composed of equimolar amounts of dextrobupivacaine(1+) and levobupivacaine(1+). ChEBI CHEBI:77455, CHEBI:77457
      An organic cation that is the conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide, obtained by protonation of the tertiary amino group. ChEBI CHEBI:77455, CHEBI:77457

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

Density:
Boiling Point: 423.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 10.34
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 51.88
ACD/KOC (pH 7.4): 453.63
Polar Surface Area: 34 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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