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Mepivacaine Hydrochloride
CAS: 1722-62-9 | C15H23ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1722-62-9
Molecular Formula:
C15H23ClN2O
Molecular Mass:
282.82 g/mol
Names and Synonyms:
Mepivacaine Hydrochloride
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, hydrochloride (1:1)
2′,6′-Pipecoloxylidide, 1-methyl-, monohydrochloride
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, monohydrochloride
Carbocaine monohydrochloride
Mepivacaine monohydrochloride
Mepivacaine hydrochloride
Carbocaine hydrochloride
Scandonest
(±)-Mepivacaine hydrochloride
Scandicain
Polocaine
Mepident
Meaverin
Mepicaton
Chlorocain
Optocain
Carbocaina
Mepivastesin
Identifiers:
SMILES:
Cc1cccc(C)c1N=C(O)C1CCCCN1C.Cl
InChI:
InChI=1S/C15H22N2O.ClH/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);1H
Key Properties
Melting Point
262-264 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 282.82 g/mol | CAS Common Chemistry |
| 282.81499999999994 g/mol | RDKit | |
| 282.14989103600004 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)C2N(C)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H22N2O.ClH/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);1H | CAS Common Chemistry |
| InChI Key | InChIKey=RETIMRUQNCDCQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 262-264 °C | CAS Common Chemistry |
| Name | Mepivacaine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 3.797540000000003 | RDKit |
| Molar Refractivity | 83.15680000000005 | RDKit |
