Phenylalanylmethane
Basic information
- CAS
52735-74-7- Standard SMILES
CC(=O)[C@@H](N)Cc1ccccc1- InChIKey
RTUDQBPZFFIRAD-JTQLQIEISA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- Phenylalanylmethane
- IUPAC
- (3S)-3-amino-4-phenylbutan-2-one
Names & synonyms
PHENYLALANYLMETHANE52735-74-7DTXSID60415353RefChem:369834DTXCID90366203(3S)-3-amino-4-phenylbutan-2-one2-Butanone, 3-amino-4-phenyl-, (S)-SCHEMBL1436467SCHEMBL4379939SCHEMBL7957699SCHEMBL184232013-Amino-4-phenylbutan-2-one--hydrogen chloride (1/1)
Show more names
(S)-3-Amino-4-phenylbutan-2-oneAKOS006340967DB-179220
Database identifiers
- CAS
52735-74-7- PubChem CID
- 5289150
- DTXSID
DTXSID60415353
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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