N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide

Reported in EPA TSCA Inventory.

The DL-Mepivacaine, with the CAS registry number 96-88-8, is also known as N-Methyl-2-pipecolic acid, 2,6-dimethylanilide. Its EINECS number is 202-543-0. This chemical's molecular formula is C₁₅H₂₂N₂O and molecular weight is 246.35. What's more, its systematic name is N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide. Its classification codes are: (1)Anesthetics; (2)Anesthetics, local; (3)Central Nervous System Agents; (4)Central Nervous System Depressants; (5)Drug / Therapeutic Agent; (6)Peripheral Nervous System Agents; (7)Reproductive Effect; (8)Sensory System Agents. This chemical is a local anesthetic of the amide type. It has a reasonably rapid onset (more rapid than that of procaine) and medium duration of action (shorter than that of procaine) and is marketed under various trade names including Carbocaine and Polocaine. This substance is used in any infiltration and regional anesthesia. It is supplied as the hydrochloride salt of the racemate.

Physical properties of DL-Mepivacaine are: (1)ACD/LogP: 1.783; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.40; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 4.20; (7)ACD/KOC (pH 5.5): 1.45; (8)ACD/KOC (pH 7.4): 69.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 74.736 cm³; (15)Molar Volume: 228.649 cm³; (16)Polarizability: 29.628×10^-24cm³; (17)Surface Tension: 44.0 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 185.47 °C; (20)Enthalpy of Vaporization: 63.155 kJ/mol; (21)Boiling Point: 383.062 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(cccc1C)C)C2N(C)CCCC2
(2)Std. InChI: InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
(3)Std. InChIKey: INWLQCZOYSRPNW-UHFFFAOYSA-N 

The toxicity data is as follows: