2-Amino-2-(3-hydroxyphenyl)acetic acid
Basic information
- CAS
31932-87-3- Standard SMILES
NC(C(=O)O)c1cccc(O)c1- InChIKey
DQLYTFPAEVJTFM-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Amino-2-(3-hydroxyphenyl)acetic acid
- IUPAC
- 2-amino-2-(3-hydroxyphenyl)acetic acid
- English name
- (RS)-3-HYDROXYPHENYLGLYCINE
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
31932-87-32-Amino-2-(3-hydroxyphenyl)acetic acid(RS)-3-HYDROXYPHENYLGLYCINEAmino(3-hydroxyphenyl)acetic acidm-Hydroxyphenylglycine(Rac)-3-Hydroxyphenylglycine2-(3-hydroxyphenyl)glycineDL-2-(3-Hydroxyphenyl)glycine3HPGMFCD00673854CHEMBL88124(S)-(3-Hydroxyphenyl)glycine
Show more names
A-0545(±)-3-HydroxyphenylglycineAMINO-(3-HYDROXY-PHENYL)-ACETIC ACIDD-α-amino-m-hydroxyphenylacetic acid
benzeneacetic acid, alpha-amino-3-hydroxy-, hydrochloride(R)-AMINO-(3-HYDROXY-PHENYL)-ACETIC ACIDBenzeneacetic acid, a-amino-3-hydroxy-2-(3-hydroorb1305684SCHEMBL1512921SCHEMBL31564921DQLYTFPAEVJTFM-UHFFFAOYSA-N
Database identifiers
- CAS
31932-87-3- PubChem CID
- 1217
- DTXSID
DTXSID501379839- ChEMBL
CHEMBL88124- EC Number
- 636-523-1
- Nikkaji
- J88.754D
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 382.6 · 382.6±32.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 100 mM · Soluble to 100 mM in 1eq. NaOH
- form
- Powder
- pka
- 1.85 · 1.85±0.10(Predicted)
- color
- Off-white to gray
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2922500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(RS)-3-Hydroxyphenylglycine is an agonist at PI-linked metabotropic glutamate receptors.
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Compound notes
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