Pivenfrine
Basic information
- CAS
67577-23-5- Standard SMILES
CNCC(O)c1cccc(OC(=O)C(C)(C)C)c1- InChIKey
DQCAWJLMFJKICG-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Pivenfrine
- IUPAC
- [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
- English name
- Pivenfrine
- Molecular formula
- C14H21NO3
- Molecular weight
- 251.324
Names & synonyms
PivenfrinePivenfrine [INN]67577-23-5[3-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoateRB4XQ0T71UPivalylphenylephrineUNII-RB4XQ0T71UPivenfrinaOprea1_59906071206-88-7SCHEMBL2110144CHEMBL2107163
Show more names
2,2-dimethylpropionic acid [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] ester
DTXSID80867279NS00121103Q19598647(+-)-m-(1-Hydroxy-2-(methylamino)ethyl)phenyl pivalate(- )-m-(1-Hydroxy-2-(methylamino)ethyl)phenyl pivalate.3-[1-HYDROXY-2-(METHYLAMINO)ETHYL]PHENYL 2,2-DIMETHYLPROPANOATEPropanoic acid, 2,2-dimethyl-, 3-(1-hydroxy-2-(methylamino)ethyl)phenyl ester
Database identifiers
- CAS
67577-23-5、71206-88-7- PubChem CID
- 130545
- DTXSID
DTXSID80867279- ChEMBL
CHEMBL2107163- UNII
- RB4XQ0T71U
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- FDA UNII
- 4 XQ0T71U · RB4XQ0T71U
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Related reactions
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Compound notes
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