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Molecule
Lidocaine Hydrochloride Monohydrate
CAS: 6108-05-0 · C14H25ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6108-05-0
- Molecular Formula
- C14H25ClN2O2
- Molecular Mass
- 288.82 g/mol
Identifiers
CAS Registry Number
6108-05-0
SMILES
CCN(CC)CC(O)=Nc1c(C)cccc1C.Cl.O
InChI Key
YECIFGHRMFEPJK-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2O.ClH.H2O/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);1H;1H2
Names and Synonyms
- Lidocaine Hydrochloride Monohydrate Common Name
- Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1) Synonym
- 2′,6′-Acetoxylidide, 2-(diethylamino)-, monohydrochloride, monohydrate Synonym
- Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-, monohydrochloride, monohydrate Synonym
- Lidocaine hydrochloride monohydrate Synonym
- Lidocaine monohydrate hydrochloride Synonym
- Lidocaine monohydrochloride monohydrate Synonym
- Petercaine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.82 g/mol | CAS Common Chemistry |
| 288.819 g/mol | RDKit | |
| 288.816 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)CN(CC)CC.O | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O.ClH.H2O/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);1H;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YECIFGHRMFEPJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lidocaine hydrochloride monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 67.33 Ų | RDKit |
| LogP | 2.830340000000002 | RDKit |
| 2.8303 | RDKit | |
| Molar Refractivity | 84.28960000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 288.16045572 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 |
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200 ppm
180
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| 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.
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MW = 288.82 g/mol. Edit any field — others recompute live.
