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Molecule
Alprenolol Hydrochloride
CAS: 13707-88-5 · C15H24ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13707-88-5
- Molecular Formula
- C15H24ClNO2
- Molecular Mass
- 285.81 g/mol
Identifiers
CAS Registry Number
13707-88-5
SMILES
C=CCc1ccccc1OCC(O)CNC(C)C.Cl
InChI Key
RRCPAXJDDNWJBI-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H
Names and Synonyms
- Alprenolol Hydrochloride Common Name
- 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yl)phenoxy]-, hydrochloride (1:1) Synonym
- 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-, hydrochloride Synonym
- 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, hydrochloride Synonym
- 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride Synonym
- Alprenolol hydrochloride Synonym
- H 56/28 Synonym
- 1-(2-Allylphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride Synonym
- Gubernal Synonym
- Aptine Synonym
- Alfeprol Synonym
- Aptin Synonym
- Betaptin Synonym
- Dimacor Synonym
- Aptol Duriles Synonym
- Apllobal Synonym
- (±)-1-(o-Allylphenoxy)-3-isopropylamino-2-propanol hydrochloride Synonym
- (±)-Alprenolol hydrochloride Synonym
- dl-Alprenolol chloride Synonym
- DL-1-(o-Allylphenoxy)-3-isopropylamino-2-propanol hydrochloride Synonym
- Regletin Synonym
- Applobal Synonym
- Yobir Synonym
- Aprobal Synonym
- 1-(2-Allylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride Synonym
- [2-Hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl](propan-2-yl)amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.81 g/mol | CAS Common Chemistry |
| 285.81499999999994 g/mol | RDKit | |
| 285.815 g/mol | RDKit | |
| 285.812 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC(COC=1C=CC=CC1CC=C)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RRCPAXJDDNWJBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-109 °C | CAS Common Chemistry |
| Name | Alprenolol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.49 Ų | RDKit |
| LogP | 2.5746000000000007 | RDKit |
| 2.5746 | RDKit | |
| Molar Refractivity | 82.23150000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 285.14955668799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 285.81 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H24ClNO2.
