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Molecule
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
Identifiers
CAS Registry Number
22801-44-1
SMILES
Cc1cccc(C)c1N=C(O)C1CCCCN1C
InChI Key
INWLQCZOYSRPNW-UHFFFAOYSA-N
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)
Names and Synonyms
- Mepivacaine Common Name
- 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl- Synonym
- 2′,6′-Pipecoloxylidide, 1-methyl- Synonym
- N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide Synonym
- Carbocaine Synonym
- Mepivacaine Synonym
- Scandicain Synonym
- Scandicaine Synonym
- Carbocain Synonym
- 1-Methyl-2′,6′-pipecoloxylidide Synonym
- DL-Mepivacaine Synonym
- (±)-Mepivacaine Synonym
- Mepicaine Synonym
- Tevacaine Synonym
- Carbocaine-V Synonym
- MepiSV Synonym
- APF 135 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.35 g/mol | CAS Common Chemistry |
| 246.35399999999996 g/mol | RDKit | |
| 246.354 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 |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 3.375740000000002 | RDKit |
| 3.3757 | RDKit | |
| 3.23 | chempirical lib | |
| Molar Refractivity | 75.90880000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 246.173213324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 246.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H22N2O.
