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Atenolol

CAS: 29122-68-7 | C14H22N2O3

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 29122-68-7
Molecular Formula: C14H22N2O3
Molecular Weight: 266.341 g/mol

Names and Synonyms:

Atenolol
2-[4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide
2-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-acetamide
2-(4-[2-Hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl)acetamide
RS-alprenolol
(R,S)-Atenolol
Juvental
Catenolol
Novaten
Ateno
Tenordin
Telol
Aten
Ternomin
Uniloc
Ibinolo
Selobloc
Prenormine
Teno-basan
Seles Beta
Cuxanorm
Hypoten
Felo-Bits
Xaten
Wesipin
Vericordin
Vascoten
Urosin
Tredol
Tensimin
Tensig
Tenoprin
Tenolol
Tenolin
Tenoblock
Tenidon
Stermin
Serten
Seles
Prenolol
Premorine
Oraday
Noten
Normiten
Normalol
Myocord
Lotenal
Lo-ten
Internolol
Hipres
Atenil
Ateni
Farnormin
Evitocor
Corotenol
Coratol
Catenol
B-Vasc
Blokium
Betacard
Betablok
Atolmin
Aterol
Atereal
Atenol
Atecard
Atcardil
Atenet
Atendol
Atenblock
Atelol
AteHexal
Antipressan
Anselol
Apo-Atenolol
Alinor
Altol
(RS)-Atenolol
dl-Atenolol
DL-Atenolol
(±)-Atenolol
Duraatenolol
Tenormin
Atenolol
ICI 66082
Tenormine
4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide
Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-
Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-

Identifiers:

SMILES:
CC(C)NCC(O)COc1ccc(CC(=N)O)cc1
InChI:
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)

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 266.34 g/mol Legacy Database
cas-canonical-smile O=C(N)CC1=CC=C(OCC(O)CNC(C)C)C=C1 None Legacy Database
cas-inchi InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) None Legacy Database
cas-inchi-key InChIKey=METKIMKYRPQLGS-UHFFFAOYSA-N None Legacy Database
cas-melting-point 146-148 °C None Legacy Database
cas-name Atenolol None Legacy Database
LogP 1.5020699999999996 RDKit

Molecular

Property Value Source
Molecular Weight 266.341 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 266.163042564 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 19 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 8 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 85.57000000000001 Ų RDKit

Molar

Property Value Source
Molar Refractivity 75.14200000000004 RDKit

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