Basic information
- CAS
39718-86-0- Standard SMILES
CCCNc1ccc(C(C)C(=O)O)cc1- InChIKey
NJUAJYBNHIWKDB-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(propylamino)phenyl)-
- IUPAC
- 2-[4-(propylamino)phenyl]propanoic acid
Names & synonyms
39718-86-0BRN 23702662-(4-(Propylamino)phenyl)propionic acidPropionic acid, 2-(4-(propylamino)phenyl)-Acide (propylamino-4 phenyl)-2 propionique [French]Acide (propylamino-4 phenyl)-2 propioniqueRefChem:3751412-[4-(propylamino)phenyl]propanoic acidSCHEMBL11798610DTXSID20960314
Database identifiers
- CAS
39718-86-0- PubChem CID
- 217829
- DTXSID
DTXSID20960314
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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