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Procainamide Hydrochloride
CAS: 614-39-1 | C13H22ClN3O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
614-39-1
Molecular Formula:
C13H22ClN3O
Molecular Mass:
271.79 g/mol
Names and Synonyms:
Procainamide Hydrochloride
Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, hydrochloride (1:1)
Benzamide, p-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride
Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride
Novocamid hydrochloride
Procainamide monohydrochloride
Procardyl
Pronestyl hydrochloride
HC 5006
Procainamide hydrochloride
Pronestyl
Amisalin
4-Amino-N-[2-(diethylamino)ethyl]benzamide monohydrochloride
Amidoprocaine
Cardiorytmin
Spicain amide
Procamid
Novocaine amide hydrochloride
Procan SR
Procamide
Procapan
Identifiers:
SMILES:
CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl
InChI:
InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H
Key Properties
Melting Point
167 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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4
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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 |
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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 | 271.79 g/mol | CAS Common Chemistry |
| 271.792 g/mol | RDKit | |
| 271.145140004 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NCCN(CC)CC)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ABTXGJFUQRCPNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Procainamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.36 Ų | RDKit |
| LogP | 1.7621999999999995 | RDKit |
| Molar Refractivity | 78.22360000000003 | RDKit |
