Basic information
- CAS
37784-25-1- Standard SMILES
NC(C(=O)O)c1ccc(O)cc1- InChIKey
LJCWONGJFPCTTL-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 4-Hydroxyphenylglycine
- IUPAC
- 2-amino-2-(4-hydroxyphenyl)acetic acid
- English name
- N-Ac-RS-4-Hydroxyphenylglycine
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.19864
Names & synonyms
2-amino-2-(4-hydroxyphenyl)acetic acid4-Hydroxyphenylglycine(RS)-2-(4-Hydroxyphenyl)glycine7UYG7X0F53alpha-Amino-4-hydroxybenzeneacetic acidCHEBI:504182-azaniumyl-2-(4-hydroxyphenyl)acetateRefChem:524066(+-)-ALPHA-AMINO-4-HYDROXYBENZENEACETIC ACID213-353-2938-97-6DL-4-Hydroxyphenylglycine
Show more names
N-Ac-RS-4-Hydroxyphenylglycine(acetylamino)(4-hydroxyphenyl)acetic acid2-Acetamido-2-(4-hydroxyphenyl)acetic acidBenzeneacetic acid, α-(acetylamino)-4-hydroxy-
dl-p-HydroxyphenylglycineAmino(4-hydroxyphenyl)acetic acid(4-hydroxyphenyl)glycineMFCD000659316324-01-2Benzeneacetic acid, a-amino-4-hydroxy-(+/-)-alpha-Amino-4-hydroxybenzeneacetic acidD-(-)-4-Hydroxyphenyl-d4-glycine
Database identifiers
- CAS
37784-25-1、6324-01-2、938-97-6- PubChem CID
- 92143
- DTXSID
DTXSID90860473- ChEBI
CHEBI:50418- UNII
- 7UYG7X0F53
- EC Number
- 213-353-2、228-682-7
- Nikkaji
- J27.605G、J3.734.257B
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
- 164
Physicochemical properties
- Boiling point
- 514.9 · 514.9±45.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.10(Predicted)
- FDA UNII
- 7 UYG7X0F53 · 7UYG7X0F53
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Suppliers3 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Additional notes
DefinitionChEBI: 4-hydroxyphenylglycine is a glycine molecule carrying a 4-hydroxyphenyl substituent. It has a role as a bacterial metabolite. It is functionally related to a glycine.
Related reactions
31 records
Compound notes
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