Basic information
- Standard SMILES
COC(=O)CCCc1ccccc1N.Cl- InChIKey
OVROSNOKUBLWOF-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-aminophenyl)butanoate hydrochloride
- IUPAC
- methyl 4-(2-aminophenyl)butanoate;hydrochloride
Names & synonyms
SCHEMBL5582917OVROSNOKUBLWOF-UHFFFAOYSA-NMethyl 4-(2-aminophenyl)butanoate hydrochloride
Database identifiers
- PubChem CID
- 21940035
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Related reactions
1 records
Compound notes
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