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Molecule
Lidocaine
CAS: 137-58-6 · C14H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 137-58-6
- Molecular Formula
- C14H22N2O
- Molecular Mass
- 234.34 g/mol
Identifiers
CAS Registry Number
137-58-6
SMILES
CCN(CC)CC(O)=Nc1c(C)cccc1C
InChI Key
NNJVILVZKWQKPM-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
Names and Synonyms
- Lidocaine Common Name
- Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)- Synonym
- 2′,6′-Acetoxylidide, 2-(diethylamino)- Synonym
- 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide Synonym
- α-Diethylamino-2,6-acetoxylidide Synonym
- 2-(Diethylamino)-2′,6′-acetoxylidide Synonym
- Isicaine Synonym
- Leostesin Synonym
- Lidocaine Synonym
- Lignocaine Synonym
- Maricaine Synonym
- Rucaina Synonym
- Xycaine Synonym
- Xylocaine Synonym
- Xylocitin Synonym
- Duncaine Synonym
- Xylestesin Synonym
- Anestacon Synonym
- Solcain Synonym
- Xylocain Synonym
- Isicaina Synonym
- Xilina Synonym
- Xyline Synonym
- Remicaine Synonym
- Medicaine Synonym
- Jetocaine Synonym
- Lidoderm Synonym
- Cuivasil Synonym
- Dalcaine Synonym
- Solarcaine Synonym
- Lida-Mantle Synonym
- NSC 40030 Synonym
- Lidocadren Synonym
- Esracaine Synonym
- Penles Synonym
- LMX Synonym
- ELA-Max Synonym
- Aritmal Synonym
- Trachisan Synonym
- Linisol Synonym
- Xylovet Synonym
- Versatis Synonym
- Xybrex Synonym
- LidoPosterine Synonym
- Lidocain Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.34 g/mol | CAS Common Chemistry |
| 234.343 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)CN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) | CAS Common Chemistry |
| InChI Key | InChIKey=NNJVILVZKWQKPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68.5 °C | CAS Common Chemistry |
| Name | Lidocaine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| 35.6 Ų | chempirical lib | |
| LogP | 3.2332400000000012 | RDKit |
| 3.2332 | RDKit | |
| 3.08 | chempirical lib | |
| Molar Refractivity | 73.42780000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 234.173213324 g/mol | RDKit |
| Boiling Point | 159-160 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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.
External Resources
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MW = 234.34 g/mol. Edit any field — others recompute live.
