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Prilocaine Hydrochloride
CAS: 1786-81-8 | C13H21ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1786-81-8
Molecular Formula:
C13H21ClN2O
Molecular Mass:
256.78 g/mol
Names and Synonyms:
Prilocaine Hydrochloride
Propanamide, N-(2-methylphenyl)-2-(propylamino)-, hydrochloride (1:1)
o-Propionotoluidide, 2-(propylamino)-, monohydrochloride
Propanamide, N-(2-methylphenyl)-2-(propylamino)-, monohydrochloride
Citanest hydrochloride
L 67 hydrochloride
α-(Propylamino)-2-methylpropionanilide hydrochloride
2-(Propylamino)-o-propionotoluidide hydrochloride
Prilocaine hydrochloride
Propitocaine hydrochloride
Xylonest
Prilocaine chloride
Citanest Plain
L 67
2-(Propylamino)-N-(o-tolyl)propanamide hydrochloride
Identifiers:
SMILES:
CCCNC(C)C(O)=Nc1ccccc1C.Cl
InChI:
InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H
Key Properties
Melting Point
167-168 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 | 256.78 g/mol | CAS Common Chemistry |
| 256.777 g/mol | RDKit | |
| 256.134240972 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NC=1C=CC=CC1C)C(NCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BJPJNTKRKALCPP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-168 °C | CAS Common Chemistry |
| Name | Prilocaine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.62 Ų | RDKit |
| LogP | 3.3929200000000024 | RDKit |
| Molar Refractivity | 75.90650000000004 | RDKit |
