Back to Search
Molecule
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
Identifiers
CAS Registry Number
1786-81-8
SMILES
CCCNC(C)C(O)=Nc1ccccc1C.Cl
InChI Key
BJPJNTKRKALCPP-UHFFFAOYSA-N
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
Names and Synonyms
- Prilocaine Hydrochloride Synonym
- Propanamide, N-(2-methylphenyl)-2-(propylamino)-, hydrochloride (1:1) Synonym
- o-Propionotoluidide, 2-(propylamino)-, monohydrochloride Synonym
- Propanamide, N-(2-methylphenyl)-2-(propylamino)-, monohydrochloride Synonym
- Citanest hydrochloride Synonym
- L 67 hydrochloride Synonym
- α-(Propylamino)-2-methylpropionanilide hydrochloride Synonym
- 2-(Propylamino)-o-propionotoluidide hydrochloride Synonym
- Prilocaine hydrochloride Synonym
- Propitocaine hydrochloride Synonym
- Xylonest Synonym
- Prilocaine chloride Synonym
- Citanest Plain Synonym
- L 67 Synonym
- 2-(Propylamino)-N-(o-tolyl)propanamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.78 g/mol | CAS Common Chemistry |
| 256.777 g/mol | RDKit | |
| 256.774 g/mol | chempirical lib | |
| 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 |
| 3.3929 | RDKit | |
| 3.51 | chempirical lib | |
| Molar Refractivity | 75.90650000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 256.134240972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 256.78 g/mol. Edit any field — others recompute live.
