Basic information
- Standard SMILES
CCC(C(=O)O)c1ccc(CCN)cc1- InChIKey
IPSHHYHVANAHBE-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Aminoethyl)phenyl]butanoic acid
- IUPAC
- 2-[4-(2-aminoethyl)phenyl]butanoic acid
Database identifiers
- PubChem CID
- 23453066
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
1 records
Compound notes
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