4-Hydroxyphenylglycine

HCID 92143CAS 37784-25-1

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Grundinformationen

Standard-SMILES: NC(C(=O)O)c1ccc(O)cc1
InChIKey: LJCWONGJFPCTTL-UHFFFAOYSA-N
Summenformel: C8H9NO3
Durchschnittliche Molmasse: 167,16 g/mol
Monoisotopische Masse: 167,05824315

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxyphenylglycine
IUPAC: 2-amino-2-(4-hydroxyphenyl)acetic acid
Englischer Name: N-Ac-RS-4-Hydroxyphenylglycine
Summenformel: C10H11NO4
Molmasse: 209.19864

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,1
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 514.9 · 514.9±45.0 °C(Predicted)
Dichte: 1.349 · 1.349±0.06 g/cm3(Predicted)
pka: 3.38 · 3.38±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Chemie und Industrie

Pharmakologische Informationen

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.