Basic information
- CAS
28116-23-6- Standard SMILES
O=C(O)CNC(=O)Cc1ccc(O)cc1- InChIKey
CPPDWYIPKSSNNM-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 4-Hydroxyphenylacetylglycine
- IUPAC
- 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
- English name
- 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
Hydroxyphenylacetylglycinep-Hydroxyphenylacetylglycine4-Hydroxyphenylacetylglycine2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid2-[2-(4-hydroxyphenyl)acetamido]acetic acid2-(2-(4-Hydroxyphenyl)acetamido)acetic acidN-[(4-hydroxyphenyl)acetyl]glycineCHEBI:28595DTXSID10331519N-[(p-hydroxyphenyl)acetyl]-GlycineN-[(4-hydroxyphenyl)acetyl]-Glycine[[(4-Hydroxyphenyl)acetyl]amino]acetate
Show more names
CPPDWYIPKSSNNM-UHFFFAOYSA-N4-Hydroxyphenylacetyl glycineN-[2-(4-Hydroxyphenyl)acetyl]glycineGlycine, N-[2-(4-hydroxyphenyl)acetyl]-Hydroxyphenylacetylglycine, 10 mM in DMSON-[2-(4-Hydroxyphenyl)acetyl]glycine
[[(4-Hydroxyphenyl)acetyl]amino]acetic acidN-((4-hydroxyphenyl)acetyl)glycineN-((p-Hydroxyphenyl)acetyl)-glycineN-((4-Hydroxyphenyl)acetyl)-glycine(((4-Hydroxyphenyl)acetyl)amino)acetate(((4-Hydroxyphenyl)acetyl)amino)acetic acid2-((2-(4-hydroxyphenyl)acetyl)amino)acetic acidRefChem:99386
Database identifiers
- CAS
28116-23-6- PubChem CID
- 440732
- DTXSID
DTXSID10331519- ChEBI
CHEBI:28595- EC Number
- 110-705-6
- Nikkaji
- J628.638K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 144 °C · >144°C (dec.)
- Boiling point
- 563 · 563.0±40.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.52 · 3.52±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- Major Application
- clinical testing
- InChI
- 1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
- InChIKey
- CPPDWYIPKSSNNM-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Usesp-Hydroxyphenylacetylglycine is derived from the metabolism of L-DOPA (D533751), a dopamine precursor that induces dyskinesia in Parkinson’s disease patients. p-Hydroxyphenylacetylglycine is also used as a reagent to synthesize novel piperazine salts that have antimicrobial activity against Escherichia coli and Bacillus subtilis.
Suppliers26 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
1 records
Compound notes
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