4-Hydroxyphenylglycine

HCID 92143CAS 37784-25-1

基本情報

標準SMILES: NC(C(=O)O)c1ccc(O)cc1
InChIKey: LJCWONGJFPCTTL-UHFFFAOYSA-N
分子式: C8H9NO3
平均分子量: 167.16 g/mol
単同位体質量: 167.05824315

名称と識別子

優先名称: 4-Hydroxyphenylglycine
IUPAC: 2-amino-2-(4-hydroxyphenyl)acetic acid
英語名: N-Ac-RS-4-Hydroxyphenylglycine
分子式: C10H11NO4
分子量: 209.19864

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -2.1
極性表面積: 83.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 164

物理化学的性質

沸点: 514.9 · 514.9±45.0 °C(Predicted)
比重(密度): 1.349 · 1.349±0.06 g/cm3(Predicted)
酸解離定数(Pka): 3.38 · 3.38±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

化学と産業

薬理情報

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.