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Lidocaine Hydrochloride Monohydrate
CAS: 6108-05-0 | C14H25ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6108-05-0
Molecular Formula:
C14H25ClN2O2
Molecular Mass:
288.82 g/mol
Names and Synonyms:
Lidocaine Hydrochloride Monohydrate
Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1)
2′,6′-Acetoxylidide, 2-(diethylamino)-, monohydrochloride, monohydrate
Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-, monohydrochloride, monohydrate
Lidocaine hydrochloride monohydrate
Lidocaine monohydrate hydrochloride
Lidocaine monohydrochloride monohydrate
Petercaine
Identifiers:
SMILES:
CCN(CC)CC(O)=Nc1c(C)cccc1C.Cl.O
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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 | 288.82 g/mol | CAS Common Chemistry |
| 288.819 g/mol | RDKit | |
| 288.16045572 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 84.28960000000004 | RDKit |
