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Molecule
DL-(±)-Prilocaine
CAS: 721-50-6 · C13H20N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 721-50-6
- Molecular Formula
- C13H20N2O
- Molecular Mass
- 220.32 g/mol
Identifiers
CAS Registry Number
721-50-6
SMILES
CCCNC(C)C(O)=Nc1ccccc1C
InChI Key
MVFGUOIZUNYYSO-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N2O/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)
Names and Synonyms
- DL-(±)-Prilocaine Synonym
- Prilocaine Synonym
- Propanamide, N-(2-methylphenyl)-2-(propylamino)- Synonym
- o-Propionotoluidide, 2-(propylamino)- Synonym
- N-(2-Methylphenyl)-2-(propylamino)propanamide Synonym
- Astra 1512 Synonym
- Citanest Synonym
- o-Methyl-2-propylaminopropionanilide Synonym
- 2-Methyl-α-propylaminopropionanilide Synonym
- Prilocaine Synonym
- Propitocaine Synonym
- Astra 1515 Synonym
- (±)-N-(2-Propylaminopropionyl)-2-toluidine Synonym
- (±)-Prilocaine Synonym
- NSC 40027 Synonym
- 2-Propylamino-N-o-tolyl-propionamide Synonym
- 2-(Propylamino)-N-(o-tolyl)propanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.32 g/mol | CAS Common Chemistry |
| 220.31599999999997 g/mol | RDKit | |
| 220.316 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1C)C(NCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2O/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) | CAS Common Chemistry |
| InChI Key | InChIKey=MVFGUOIZUNYYSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37-38 °C | CAS Common Chemistry |
| Name | Prilocaine | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 2.971120000000001 | RDKit |
| 2.9711 | RDKit | |
| 2.69 | chempirical lib | |
| Molar Refractivity | 68.65850000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 220.15756326 g/mol | RDKit |
| Boiling Point | 159-162 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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
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MW = 220.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H20N2O.
