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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 Mass:
266.34 g/mol
Names and Synonyms:
Atenolol
Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-
4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide
Tenormine
ICI 66082
Atenolol
Tenormin
Duraatenolol
(±)-Atenolol
DL-Atenolol
dl-Atenolol
(RS)-Atenolol
Altol
Alinor
Apo-Atenolol
Anselol
Antipressan
AteHexal
Atelol
Atenblock
Atendol
Atenet
Atcardil
Atecard
Atenol
Atereal
Aterol
Atolmin
Betablok
Betacard
Blokium
B-Vasc
Catenol
Coratol
Corotenol
Evitocor
Farnormin
Ateni
Atenil
Hipres
Internolol
Lo-ten
Lotenal
Myocord
Normalol
Normiten
Noten
Oraday
Premorine
Prenolol
Seles
Serten
Stermin
Tenidon
Tenoblock
Tenolin
Tenolol
Tenoprin
Tensig
Tensimin
Tredol
Urosin
Vascoten
Vericordin
Wesipin
Xaten
Felo-Bits
Hypoten
Cuxanorm
Seles Beta
Teno-basan
Prenormine
Selobloc
Ibinolo
Uniloc
Ternomin
Aten
Telol
Tenordin
Ateno
Novaten
Catenolol
Juvental
(R,S)-Atenolol
RS-alprenolol
2-(4-[2-Hydroxy-3-[(propan-2-yl)amino]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-ylamino)propoxy]phenyl]acetamide
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)
Key Properties
Melting Point
146-148 °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 | 266.34 g/mol | CAS Common Chemistry |
| 266.341 g/mol | RDKit | |
| 266.163042564 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CC1=CC=C(OCC(O)CNC(C)C)C=C1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=METKIMKYRPQLGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146-148 °C | CAS Common Chemistry |
| Name | Atenolol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.57000000000001 Ų | RDKit |
| LogP | 1.5020699999999996 | RDKit |
| Molar Refractivity | 75.14200000000004 | RDKit |
