Basic information
- CAS
39718-88-2- Standard SMILES
CC(C(=O)O)c1ccc(NCc2ccccc2)cc1- InChIKey
ZCEHTVNVKMNTFS-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(benzylamino)phenyl)-
- IUPAC
- 2-[4-(benzylamino)phenyl]propanoic acid
Names & synonyms
BRN 238164639718-88-22-(4-(Benzylamino)phenyl)propionic acidPropionic acid, 2-(4-(benzylamino)phenyl)-Acide (benzylamino-4 phenyl)-2 propionique [French]Acide (benzylamino-4 phenyl)-2 propioniqueRefChem:3751362-[4-(benzylamino)phenyl]propanoic acidSCHEMBL11804605DTXSID40960316
Database identifiers
- CAS
39718-88-2- PubChem CID
- 217831
- DTXSID
DTXSID40960316- Nikkaji
- J92.636A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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