4-Carboxyphenylalanine
Basic information
- CAS
22976-70-1- Standard SMILES
NC(Cc1ccc(C(=O)O)cc1)C(=O)O- InChIKey
YXDGRBPZVQPESQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 4-Carboxyphenylalanine
- IUPAC
- 4-(2-amino-2-carboxyethyl)benzoic acid
- English name
- (+/-)-2-Amino-3-(4-carboxyphenyl)propionic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
22976-70-14-carboxyphenylalanineRefChem:2912374-(2-Amino-2-carboxyethyl)benzoic acid(+/-)-4-Carboxylic acid phenylalanineMFCD0021482224213-90-94-carboxy-DL-phenylalanine(+/-)-2-AMINO-3-(4-CARBOXYPHENYL)PROPIONIC ACIDNSC1011334-(2-Amino-2-carboxyethyl)benzoicacidSCHEMBL157002
Show more names
Phenylalanine, 4-carboxy-P-CARBOXYLIC ACID PHENYLALANINE()-4-CARBOXYLIC ACID PHENYLALANIN
YXDGRBPZVQPESQ-UHFFFAOYSA-NAKOS016012965NSC-1011334-(2-amino-2-carboxy-ethyl)benzoic acidCS-0157582D709104-Carboxyphenylalanine (H-DL-Phe(4-CO2H)-OH)F322091
Database identifiers
- CAS
22976-70-1、24213-90-9- PubChem CID
- 265273
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 304 · 304-305 °C (decomp)
- Boiling point
- 436.7 · 436.7±40.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.16 · 2.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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