Butyl phenylalaninate--hydrogen chloride (1/1)
Basic information
- CAS
6330-15-0- Standard SMILES
CCCCOC(=O)C(N)Cc1ccccc1.Cl- InChIKey
XHOFZUILKVVMBK-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO2
- Average molar mass
- 257.75 g/mol
- Monoisotopic mass
- 257.1182566
Names & identifiers
- Preferred name
- Butyl phenylalaninate--hydrogen chloride (1/1)
- IUPAC
- butyl 2-amino-3-phenylpropanoate;hydrochloride
Names & synonyms
6330-15-0Butyl phenylalaninate--hydrogen chloride (1/1)SCHEMBL5281599DTXSID30712725NSC47136NSC-47136
Database identifiers
- CAS
6330-15-0- PubChem CID
- 54599337
- DTXSID
DTXSID30712725
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 200
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Related reactions
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Compound notes
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