Propranolol
A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 525-66-6 | ChEBI ↗ |
| Molecular formula | C16H21NO2 | ChEBI ↗ |
| Molar mass | 259.349 g/mol | ChEBI ↗ |
| Monoisotopic mass | 259.15723 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:8499 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 259.34 g/mol | PubChem ↗ |
| Exact mass | 259.157228913 Da | PubChem ↗ |
| Computed XLogP | 3 | PubChem ↗ |
| Topological polar surface area (Ų) | 41.5 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 6 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierpropranolol3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-olAQHHHDLHHXJYJD-UHFFFAOYSA-NCC(C)NCC(O)COc1cccc2ccccc12InChI=1S/C16H21NO2/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,10-11H2,1-2H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 259.349 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHNCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.