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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
Names and Synonyms:
Alprenolol Hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yl)phenoxy]-, hydrochloride (1:1)
2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-, hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, hydrochloride
1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride
Alprenolol hydrochloride
H 56/28
1-(2-Allylphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Gubernal
Aptine
Alfeprol
Aptin
Betaptin
Dimacor
Aptol Duriles
Apllobal
(±)-1-(o-Allylphenoxy)-3-isopropylamino-2-propanol hydrochloride
(±)-Alprenolol hydrochloride
dl-Alprenolol chloride
DL-1-(o-Allylphenoxy)-3-isopropylamino-2-propanol hydrochloride
Regletin
Applobal
Yobir
Aprobal
1-(2-Allylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride
[2-Hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl](propan-2-yl)amine hydrochloride
Identifiers:
SMILES:
C=CCc1ccccc1OCC(O)CNC(C)C.Cl
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
Key Properties
Melting Point
107-109 °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 | 285.81 g/mol | CAS Common Chemistry |
| 285.81499999999994 g/mol | RDKit | |
| 285.14955668799996 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 82.23150000000004 | RDKit |
