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Atenolol
CAS: 29122-68-7 | C14H22N2O3
2D Structure
3D Structure
Loading 3D structure...
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.
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 |
