2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrochloride

• ChemBase ID: 105746
• Molecular Formular: C14H23ClN2O
• Molecular Mass: 270.79822
• Monoisotopic Mass: 270.14989105
• SMILES: CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl
• Canonical SMILES: CCN(CC(=O)Nc1c(C)cccc1C)CC.Cl
• InChI: InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H
• InChIKey: IYBQHJMYDGVZRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrochloride
• IUPAC Traditional name: lignocaine hydrochloride
• Synonyms: Diethylamino-2,6-dimethylacetanilide Hydrochloride; LIDOCAINE HYDROCHLORIDE

Database IDs

• CAS Number: 6108-05-0
• PubChem SID: 162092664
• PubChem CID: 6314

CALCULATED PROPERTIES

• Acid pKa: 13.775423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6099084
• LogD (pH = 7.4): 2.329713
• Log P: 2.8429134
• Molar Refractivity: 73.9296 cm^3
• Polarizability: 27.641424 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AN7700000
• European Hazard Symbols: Toxic (T)
• Risk Statements: R:25
• Safety Statements: S:28-36/37/39-45-53

DETAILS

MP Biomedicals - 02193917

Hydrochloride