Back to Search
(S)-Propranolol Hydrochloride
CAS: 4199-10-4 | C16H22ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4199-10-4
Molecular Formula:
C16H22ClNO2
Molecular Mass:
295.81 g/mol
Names and Synonyms:
(S)-Propranolol Hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2S)-
2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride, (-)-
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (S)-
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (2S)-
(-)-Propranolol hydrochloride
l-Propranolol hydrochloride
L-(-)-Propranolol hydrochloride
S-(-)-1-Isopropylamino-3-(1-naphthoxy)-2-propanol hydrochloride
l-Propranolol chlorhydrate
(S)-(-)-Propranolol hydrochloride
(S)-Propranolol hydrochloride
Identifiers:
SMILES:
CC(C)NC[C@H](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/t14-;/m0./s1
Key Properties
Melting Point
192 °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 | 295.81 g/mol | CAS Common Chemistry |
| 295.13390662399996 g/mol | RDKit | |
| Canonical SMILES | Cl.OC(COC1=CC=CC=2C=CC=CC12)CNC(C)C | CAS Common Chemistry |
| 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/t14-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMRUPTIKESYGQW-UQKRIMTDSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | (S)-Propranolol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 41.489999999999995 Ų | RDKit |
| LogP | 2.999300000000001 | RDKit |
| Molar Refractivity | 85.83650000000004 | RDKit |
