L-Phenylalanine, N-(phenylmethyl)-
Basic information
- CAS
19461-04-2- Standard SMILES
O=C(O)[C@H](Cc1ccccc1)NCc1ccccc1- InChIKey
PIVJVCRQCUYKNZ-HNNXBMFYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592878
Names & identifiers
- Preferred name
- L-Phenylalanine, N-(phenylmethyl)-
- IUPAC
- (2S)-2-(benzylamino)-3-phenylpropanoic acid
- English name
- L-Phenylalanine, N-(phenylmethyl)-
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
L-Phenylalanine, N-(phenylmethyl)-19461-04-2DTXSID50474171RefChem:350849DTXCID60424985(S)-2-(Benzylamino)-3-phenylpropanoic acidn-benzyl-l-phenylalaninebenzylphenylalanineNalpha -benzyl-phenylalanineSCHEMBL73955CHEMBL63228PIVJVCRQCUYKNZ-HNNXBMFYSA-N
Database identifiers
- CAS
19461-04-2- PubChem CID
- 11832004
- DTXSID
DTXSID50474171- ChEMBL
CHEMBL63228- Nikkaji
- J370.285E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 225 °C · 225 °C (decomp)
- Boiling point
- 417.9 · 417.9±33.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
Related reactions
2 records
Compound notes
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