{[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium chloride

• ChemBase ID: 132930
• Molecular Formular: C16H27ClN2O
• Molecular Mass: 298.85138
• Monoisotopic Mass: 298.18119117
• SMILES: CC[N+](CC)(CC)CC(=O)Nc1c(cccc1C)C.[Cl-]
• Canonical SMILES: CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)CC.[Cl-]
• InChI: InChI=1S/C16H26N2O.ClH/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5;/h9-11H,6-8,12H2,1-5H3;1H
• InChIKey: LLPPOMUAOGMYQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium chloride
• IUPAC Traditional name: {[(2,6-dimethylphenyl)carbamoyl]methyl}triethylazanium chloride
• Synonyms: N-(2,6-Dimethylphenylcarbamoylmethyl) triethylammonium chloride; Lidocaine N-ethyl chloride

Database IDs

• MDL Number: MFCD01669894
• PubChem SID: 24896288; 162227207
• PubChem CID: 21462

CALCULATED PROPERTIES

• Acid pKa: 12.140139
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9626092
• LogD (pH = 7.4): -0.9621279
• Log P: -0.9626153
• Molar Refractivity: 94.5918 cm^3
• Polarizability: 31.261957 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble

Safety Information

• Storage Condition: protect from light
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: room temp

DETAILS

Sigma Aldrich - L1663

Biochem/physiol Actions
Lidocaine N-ethyl chloride is an intracellular voltage-gated sodium channel blocker.
Other Notes
Stable at room temperature lyophilized. In solution, store at 4 °C for up to two weeks. Store solutions at -20 °C for up to six months.