2-[[2-(4-히드록시페닐)아세틸]아미노]아세트산

4-Hydroxyphenylacetylglycine

HCID 440732CAS 28116-23-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CNC(=O)Cc1ccc(O)cc1
InChIKey: CPPDWYIPKSSNNM-UHFFFAOYSA-N
분자식: C10H11NO4
평균 분자량: 209.2 g/mol
단동위원소 질량: 209.06880783

이름 및 식별자

우선 이름: 4-Hydroxyphenylacetylglycine
IUPAC: 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
현지명: 2-[[2-(4-히드록시페닐)아세틸]아미노]아세트산
영어명: 2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
분자식: C10H11NO4
분자량: 209.2

이름 및 동의어

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

이름 더 보기

2-[[2-(4-히드록시페닐)아세틸]아미노]아세트산CPPDWYIPKSSNNM-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

데이터베이스 식별자

CAS: 28116-23-6
PubChem CID: 440732
DTXSID: DTXSID10331519
ChEBI: CHEBI:28595
EC Number: 110-705-6
Nikkaji: J628.638K

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 86.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점: 144 °C · >144°C (dec.)
끓는 점: 563 · 563.0±40.0 °C(Predicted)
밀도: 1.356 · 1.356±0.06 g/cm3(Predicted)
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.52 · 3.52±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 흡습성
주요 응용: 임상 시험
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
SMILES: OC(CNC(CC1=CC=C(O)C=C1)=O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

wgk: WGK 3
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도p-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.

공급사26 곳

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]

추가 설명

정의ChEBI: Phenylacetylglycine hydroxylated at the phenyl C-4 position.

연결된 노트

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