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Propranolol Hydrochloride

CAS: 318-98-9 | C16H22ClNO2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 318-98-9
Molecular Formula: C16H22ClNO2
Molecular Weight: 295.81 g/mol

Names and Synonyms:

Propranolol Hydrochloride
Caridolol
Sagittol
Propranur
Deralin
Sloprolol
Beprane
Sumial
Rapynogen
Beta-Timelets
Frekven
Beta-Neg
Tesnol
Apsolol
Cardinol
Berkolol
Pylapron
Prophylux
NSC 91523
Bedranol
Elbol
Kemi S
Prano-Puren
Oposim
Servanolol
Beta-Tablinen
Angilol
(R,S)-Propranolol hydrochloride
Duranol
DL-Propranolol hydrochloride
Docitan
DL-Anapriline
Inderal
(±)-Propranolol hydrochloride
dl-Propranolol hydrochloride
1-(Isopropylamino)-3-(1-naphthoxy)-2-propanol hydrochloride
Propraratiopharm
Inderal LA
Avlocardyl
Obsidan
Anaprilin
1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol hydrochloride
Propranolol chloride
1-(1-Naphthoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Anapriline
Naprilin
ICI 45520
Propranolol hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride
2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1)
1-(1-Naphthyloxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
Dociton
1-(Isopropylamino)-3-(1-naphthyloxy)propan-2-ol hydrochloride
Hemangeol
Hemangiol
1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride
1-(Naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol hydrochloride
1-Isopropylamino-3-naphthalen-1-yloxypropan-2-ol monohydrochloride
Betacap
Ciplar
Monoprolol
Inderalici
(RS)-Propranolol hydrochloride
Intermigran
Indobloc
Efektolol

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.

External Resources

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

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