2-Azaniumyl-3-(2-hydroxyphenyl)propanoate
Basic information
- CAS
2370-61-8- Standard SMILES
[NH3+]C(Cc1ccccc1O)C(=O)[O-]- InChIKey
WRFPVMFCRNYQNR-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Overview
See also: 2-Hydroxyphenylalanine (preferred).
Names & identifiers
- Preferred name
- 2-Azaniumyl-3-(2-hydroxyphenyl)propanoate
- IUPAC
- 2-azaniumyl-3-(2-hydroxyphenyl)propanoate
- English name
- DL-O-Tyrosine
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2-azaniumyl-3-(2-hydroxyphenyl)propanoate2-hydroxyphenylalanineNSC 72345D, L-O-TYRdl-o-tyrosinDL-2-TYROSINEo-DL-TyrosineH-DL-o-Tyr-OHDL-O-TyrosineDL-Phe(2-OH)-OHDL-o-Tyrosine,95%
Database identifiers
- CAS
2370-61-8- PubChem CID
- 44338232
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Solubility2 mg/mL at 17 °C
Melting Point262 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 260 °C · ~260 °C (dec.)
- Boiling point
- 369 ℃ · 369℃
- Density
- 1.333 · 1.333
- Flash point
- 177 ℃ · 177℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Sparingly, Sonicated), Aqueous Base (Slightly), DMSO (Slightly, He
- form
- Powder
- pka
- 2.31 · 2.31±0.10(Predicted)
- color
- White to Light Grey
- Water Solubility
- Soluble in water, and DMSO (Heated).
- BRN
- 2805789 · 2805789
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- YP2285000
- hs_code
- 2922.50.4000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Phenylalanine
UsesD,L-o-Tyrosine is a precursor in the formation of catecholamines.
Additional notes
DefinitionChEBI: 2-hydroxyphenylalanine is a phenylalanine derivative that is phenylalanine carrying a hydroxy substituent at position 2 on the benzene ring. It is a phenylalanine derivative, a member of phenols and a non-proteinogenic alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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