Basic information
- CAS
39718-85-9- Standard SMILES
CCNc1ccc(C(C)C(=O)O)cc1- InChIKey
MCFDXRZHCSBUSY-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(ethylamino)phenyl)-
- IUPAC
- 2-[4-(ethylamino)phenyl]propanoic acid
Names & synonyms
2-(4-Ethylaminophenyl)propionic acid39718-85-9BRN 23667362-(p-Ethylaminophenyl)propionic acidPropionic acid, 2-(4-(ethylamino)phenyl)-Acide (ethylamino-4 phenyl)-2 propionique [French]Acide (ethylamino-4 phenyl)-2 propioniqueRefChem:3751382-[4-(ethylamino)phenyl]propanoic acidSCHEMBL11798756DTXSID60960313
Database identifiers
- CAS
39718-85-9- PubChem CID
- 217828
- DTXSID
DTXSID60960313- Nikkaji
- J92.678G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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