Back to Search
Molecule
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 Mass
- 266.34 g/mol
Identifiers
CAS Registry Number
29122-68-7
SMILES
CC(C)NCC(O)COc1ccc(CC(=N)O)cc1
InChI Key
METKIMKYRPQLGS-UHFFFAOYSA-N
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)
Names and Synonyms
- Atenolol Common Name
- Myocord Synonym
- Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- Synonym
- Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]- Synonym
- 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Synonym
- Tenormine Synonym
- ICI 66082 Synonym
- Atenolol Synonym
- Tenormin Synonym
- Duraatenolol Synonym
- (±)-Atenolol Synonym
- DL-Atenolol Synonym
- dl-Atenolol Synonym
- (RS)-Atenolol Synonym
- Altol Synonym
- Alinor Synonym
- Apo-Atenolol Synonym
- Anselol Synonym
- Antipressan Synonym
- AteHexal Synonym
- Atelol Synonym
- Atenblock Synonym
- Atendol Synonym
- Atenet Synonym
- Atcardil Synonym
- Atecard Synonym
- Atenol Synonym
- Atereal Synonym
- Aterol Synonym
- Atolmin Synonym
- Betablok Synonym
- Betacard Synonym
- Blokium Synonym
- B-Vasc Synonym
- Catenol Synonym
- Coratol Synonym
- Corotenol Synonym
- Evitocor Synonym
- Farnormin Synonym
- Ateni Synonym
- Atenil Synonym
- Hipres Synonym
- Internolol Synonym
- Lo-ten Synonym
- Lotenal Synonym
- Normalol Synonym
- Normiten Synonym
- Noten Synonym
- Oraday Synonym
- Premorine Synonym
- Prenolol Synonym
- Seles Synonym
- Serten Synonym
- Stermin Synonym
- Tenidon Synonym
- Tenoblock Synonym
- Tenolin Synonym
- Tenolol Synonym
- Tenoprin Synonym
- Tensig Synonym
- Tensimin Synonym
- Tredol Synonym
- Urosin Synonym
- Vascoten Synonym
- Vericordin Synonym
- Wesipin Synonym
- Xaten Synonym
- Felo-Bits Synonym
- Hypoten Synonym
- Cuxanorm Synonym
- Seles Beta Synonym
- Teno-basan Synonym
- Prenormine Synonym
- Selobloc Synonym
- Ibinolo Synonym
- Uniloc Synonym
- Ternomin Synonym
- Aten Synonym
- Telol Synonym
- Tenordin Synonym
- Ateno Synonym
- Novaten Synonym
- Catenolol Synonym
- Juvental Synonym
- (R,S)-Atenolol Synonym
- RS-alprenolol Synonym
- 2-(4-[2-Hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl)acetamide Synonym
- 2-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-acetamide Synonym
- 2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Synonym
- 2-[4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.34 g/mol | CAS Common Chemistry |
| 266.341 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 |
| 85.57 Ų | RDKit | |
| LogP | 1.5020699999999996 | RDKit |
| 1.5021 | RDKit | |
| Molar Refractivity | 75.14200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 266.163042564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 266.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H22N2O3.
