Phenylephrine
A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 59-42-7 | ChEBI ↗ |
| Molecular formula | C9H13NO2 | ChEBI ↗ |
| Molar mass | 167.208 g/mol | ChEBI ↗ |
| Monoisotopic mass | 167.09463 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:8093 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 167.20 g/mol | PubChem ↗ |
| Exact mass | 167.094628657 Da | PubChem ↗ |
| Computed XLogP | -0.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 52.5 | PubChem ↗ |
| H-bond donors | 3 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 3 | 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 identifierphenylephrine3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenolSONNWYBIRXJNDC-VIFPVBQESA-NCNC[C@H](O)c1cccc(O)c1InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1Names & 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 167.208 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCONHCalculated 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.