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Molecule
(+)-Propranolol Hydrochloride
CAS: 13071-11-9 · C16H22ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13071-11-9
- Molecular Formula
- C16H22ClNO2
- Molecular Mass
- 295.81 g/mol
Identifiers
CAS Registry Number
13071-11-9
SMILES
CC(C)NC[C@@H](O)COc1cccc2ccccc12.Cl
InChI Key
ZMRUPTIKESYGQW-PFEQFJNWSA-N
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-;/m1./s1
Names and Synonyms
- (+)-Propranolol Hydrochloride Common Name
- 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2R)- Synonym
- 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride, (+)- Synonym
- 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (R)- Synonym
- 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (2R)- Synonym
- (+)-Propranolol hydrochloride Synonym
- d-Propranolol hydrochloride Synonym
- (+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride Synonym
- Dexpropranolol hydrochloride Synonym
- AY 20694 Synonym
- R-(+)-1-Isopropylamino-3-(1-naphthoxy)-2-propanol hydrochloride Synonym
- ICI 47319 Synonym
- d-Anapriline Synonym
- (R)-(+)-Propranolol hydrochloride Synonym
- (R)-Propranolol hydrochloride Synonym
- (+)-Anapriline Synonym
- (R)-1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 295.81 g/mol | CAS Common Chemistry |
| 295.807 g/mol | chempirical lib | |
| 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-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMRUPTIKESYGQW-PFEQFJNWSA-N | CAS Common Chemistry |
| Melting Point | 192 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | (+)-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 |
| 41.49 Ų | RDKit | |
| LogP | 2.999300000000001 | RDKit |
| 2.9993 | RDKit | |
| Molar Refractivity | 85.83650000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 295.13390662399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 295.81 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H22ClNO2.
