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Molecule
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
Identifiers
CAS Registry Number
614-39-1
SMILES
CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl
InChI Key
ABTXGJFUQRCPNH-UHFFFAOYSA-N
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
Names and Synonyms
- Procainamide Hydrochloride Common Name
- Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, hydrochloride (1:1) Synonym
- Benzamide, p-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride Synonym
- Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride Synonym
- Novocamid hydrochloride Synonym
- Procainamide monohydrochloride Synonym
- Procardyl Synonym
- Pronestyl hydrochloride Synonym
- HC 5006 Synonym
- Procainamide hydrochloride Synonym
- Pronestyl Synonym
- Amisalin Synonym
- 4-Amino-N-[2-(diethylamino)ethyl]benzamide monohydrochloride Synonym
- Amidoprocaine Synonym
- Cardiorytmin Synonym
- Spicain amide Synonym
- Procamid Synonym
- Novocaine amide hydrochloride Synonym
- Procan SR Synonym
- Procamide Synonym
- Procapan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.79 g/mol | CAS Common Chemistry |
| 271.792 g/mol | RDKit | |
| 271.789 g/mol | chempirical lib | |
| 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 |
| 58.13 Ų | chempirical lib | |
| LogP | 1.7621999999999995 | RDKit |
| 1.7622 | RDKit | |
| Molar Refractivity | 78.22360000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 271.145140004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 271.79 g/mol. Edit any field — others recompute live.
