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Mepivacaine
CAS: 22801-44-1 | C15H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22801-44-1
Molecular Formula:
C15H22N2O
Molecular Mass:
246.35 g/mol
Names and Synonyms:
Mepivacaine
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-
2′,6′-Pipecoloxylidide, 1-methyl-
N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide
Carbocaine
Mepivacaine
Scandicain
Scandicaine
Carbocain
1-Methyl-2′,6′-pipecoloxylidide
DL-Mepivacaine
(±)-Mepivacaine
Mepicaine
Tevacaine
Carbocaine-V
MepiSV
APF 135
Identifiers:
SMILES:
Cc1cccc(C)c1N=C(O)C1CCCCN1C
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)
Key Properties
Melting Point
150.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.35 g/mol | CAS Common Chemistry |
| 246.35399999999996 g/mol | RDKit | |
| 246.173213324 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)C2N(C)CCCC2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=INWLQCZOYSRPNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150.5 °C | CAS Common Chemistry |
| Name | Mepivacaine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| LogP | 3.375740000000002 | RDKit |
| Molar Refractivity | 75.90880000000004 | RDKit |
