Back to Search
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
Names and Synonyms:
Prilocaine
Propanamide, N-(2-methylphenyl)-2-(propylamino)-
o-Propionotoluidide, 2-(propylamino)-
N-(2-Methylphenyl)-2-(propylamino)propanamide
Astra 1512
Citanest
o-Methyl-2-propylaminopropionanilide
2-Methyl-α-propylaminopropionanilide
Prilocaine
Propitocaine
Astra 1515
(±)-N-(2-Propylaminopropionyl)-2-toluidine
DL-(±)-Prilocaine
(±)-Prilocaine
NSC 40027
2-Propylamino-N-o-tolyl-propionamide
2-(Propylamino)-N-(o-tolyl)propanamide
Identifiers:
SMILES:
CCCNC(C)C(O)=Nc1ccccc1C
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)
Key Properties
Boiling Point
159-162 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
37-38 °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 | 220.32 g/mol | CAS Common Chemistry |
| 220.31599999999997 g/mol | RDKit | |
| 220.15756326 g/mol | RDKit | |
| Boiling Point | 159-162 °C @ Press: 1 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 68.65850000000003 | RDKit |
