Basic information
- CAS
39718-84-8- Standard SMILES
CNc1ccc(C(C)C(=O)O)cc1- InChIKey
FKTLVBYIMDFYNR-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-methylaminophenyl)-
- IUPAC
- 2-[4-(methylamino)phenyl]propanoic acid
Names & synonyms
BRN 236555039718-84-82-(p-Methylaminophenyl)propionic acid2-(4-Methylaminophenyl)propionic acidPropionic acid, 2-(4-methylaminophenyl)-Acide (methylamino-4 phenyl)-2 propionique [French]Acide (methylamino-4 phenyl)-2 propioniqueRefChem:3751472-[4-(methylamino)phenyl]propanoic acidSCHEMBL693789DTXSID00960312
Database identifiers
- CAS
39718-84-8- PubChem CID
- 217827
- DTXSID
DTXSID00960312- Nikkaji
- J92.694I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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