Basic information
- CAS
39718-87-1- Standard SMILES
CCCCNc1ccc(C(C)C(=O)O)cc1- InChIKey
OKRXZNVGRQPRAF-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(butylamino)phenyl)-
- IUPAC
- 2-[4-(butylamino)phenyl]propanoic acid
Names & synonyms
BRN 237118939718-87-12-(4-(Butylamino)phenyl)propionic acidPropionic acid, 2-(4-(butylamino)phenyl)-Acide (butylamino-4 phenyl)-2 propionique [French]Acide (butylamino-4 phenyl)-2 propioniqueRefChem:3751372-[4-(butylamino)phenyl]propanoic acidSCHEMBL11802052DTXSID80960315
Database identifiers
- CAS
39718-87-1- PubChem CID
- 217830
- DTXSID
DTXSID80960315- Nikkaji
- J92.640J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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