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Propranolol Hydrochloride
CAS: 3506-09-0 | C16H22ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3506-09-0
Molecular Formula:
C16H22ClNO2
Molecular Weight:
295.81 g/mol
Names and Synonyms:
Propranolol Hydrochloride
Propranur
Efektolol
Indobloc
Sagittol
Caridolol
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1)
2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride
Dociton
1-(Isopropylamino)-3-(1-naphthyloxy)propan-2-ol hydrochloride
1-(1-Naphthyloxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Propranolol hydrochloride
ICI 45520
Naprilin
Anapriline
1-(1-Naphthoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Propranolol chloride
1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol hydrochloride
Anaprilin
Obsidan
Avlocardyl
Inderal LA
Propraratiopharm
1-(Isopropylamino)-3-(1-naphthoxy)-2-propanol hydrochloride
dl-Propranolol hydrochloride
(±)-Propranolol hydrochloride
Inderal
DL-Anapriline
Docitan
DL-Propranolol hydrochloride
Duranol
(R,S)-Propranolol hydrochloride
Angilol
Beta-Tablinen
Servanolol
Oposim
Prano-Puren
Kemi S
Elbol
Bedranol
NSC 91523
Prophylux
Pylapron
Berkolol
Cardinol
Apsolol
Tesnol
Beta-Neg
Frekven
Beta-Timelets
Rapynogen
Sumial
Beprane
Sloprolol
Deralin
Intermigran
(RS)-Propranolol hydrochloride
Inderalici
Monoprolol
Ciplar
Betacap
1-Isopropylamino-3-naphthalen-1-yloxypropan-2-ol monohydrochloride
1-(Naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol hydrochloride
1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride
Hemangiol
Hemangeol
Identifiers:
SMILES:
CC(C)NCC(O)COc1cccc2ccccc12.Cl
InChI:
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 295.81 g/mol | Legacy Database |
| cas-canonical-smile | Cl.OC(COC1=CC=CC=2C=CC=CC12)CNC(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ZMRUPTIKESYGQW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 163-164 °C None | Legacy Database |
| cas-name | Propranolol hydrochloride None | Legacy Database |
| LogP | 2.999300000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 295.81 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 295.13390662399996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 41.489999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.83650000000004 | RDKit |
