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Molecule
Propafenone Hydrochloride
CAS: 34183-22-7 · C21H28ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34183-22-7
- Molecular Formula
- C21H28ClNO3
- Molecular Mass
- 377.91 g/mol
Identifiers
CAS Registry Number
34183-22-7
SMILES
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl
InChI Key
XWIHRGFIPXWGEF-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
Names and Synonyms
- Propafenone Hydrochloride Synonym
- 1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride (1:1) Synonym
- Propiophenone, 2′-[2-hydroxy-3-(propylamino)propoxy]-3-phenyl-, hydrochloride Synonym
- 1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride Synonym
- Propafenone hydrochloride Synonym
- Rytmonorm Synonym
- Rythmol Synonym
- Arythmol Synonym
- Pronon Synonym
- 1-[2-[2-Hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 377.91 g/mol | CAS Common Chemistry |
| 377.9120000000001 g/mol | RDKit | |
| 377.912 g/mol | RDKit | |
| 377.909 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(C=1C=CC=CC1OCC(O)CNCCC)CCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XWIHRGFIPXWGEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propafenone hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.559999999999995 Ų | RDKit |
| 58.56 Ų | RDKit | |
| LogP | 3.663200000000003 | RDKit |
| 3.6632 | RDKit | |
| Molar Refractivity | 107.44600000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.381 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 377.175771436 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 = 377.91 g/mol. Edit any field — others recompute live.
