2-아미노-2-(4-히드록시페닐)아세트산

4-Hydroxyphenylglycine

HCID 92143CAS 37784-25-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(C(=O)O)c1ccc(O)cc1
InChIKey: LJCWONGJFPCTTL-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 4-Hydroxyphenylglycine
IUPAC: 2-amino-2-(4-hydroxyphenyl)acetic acid
영어명: N-Ac-RS-4-Hydroxyphenylglycine
분자식: C10H11NO4
분자량: 209.19864

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.1
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 164

물리화학적 성질

끓는 점: 514.9 · 514.9±45.0 °C(Predicted)
밀도: 1.349 · 1.349±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.38 · 3.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

화학 및 산업

약리 정보

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.