p-Hydroxyphenylglycine methyl ester

HCID 4123006

노트 반응

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기본 정보

CAS: 37763-23-8
표준 SMILES: COC(=O)C(N)c1ccc(O)cc1
InChIKey: SZBDOFWNZVHVGR-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

개요

structure in first source

이름 및 식별자

우선 이름: p-Hydroxyphenylglycine methyl ester
IUPAC: methyl 2-amino-2-(4-hydroxyphenyl)acetate
영어명: Methyl D-(-)-4-hydroxy-phenylglycinate
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

PHPGME cpdRefChem:813869p-Hydroxyphenylglycine methyl esterMethyl 2-amino-2-(4-hydroxyphenyl)acetate43189-12-4(S)-(2-Amino-2-(4-hydroxy-phenyl)-acetic acid methyl esterBenzeneacetic acid, a-amino-4-hydroxy-, methyl ester, (aR)-benzeneacetic acid, alpha-amino-4-hydroxy-, methyl ester monohydrochlorideSCHEMBL1143625DTXSID00958815SZBDOFWNZVHVGR-UHFFFAOYSA-NALBB-036483

이름 더 보기

Δ3-Flomoxef sodiumFlufenamic Acid Impurity 11D- methyl p-hydroxyphenylglycineMETHYL DL-4-HYDROXYPHENYLGLYCINE HCLMethyl D-(-)-4-hydroxy-phenylglycineD-4-Hydroxyphenylglycine methyl ester4-Hydroxy-D-phenylglycine methyl esterMETHYL D-(-)-4-HYDROXY-PHENYLGLYCINATEmethyl (R)-amino(4-hydroxyphenyl)acetate(R)-α-(p-Hydroxyphenyl)glycine methyl ester

methyl amino(4-hydroxyphenyl)acetateAKOS010012483KH-0702PB48197SB36289AC-20103d-2-(4-hydroxyphenyl)glycine methyl esterCS-0452490

데이터베이스 식별자

CAS: 37763-23-8、43189-12-4
PubChem CID: 4123006
DTXSID: DTXSID00958815
EC Number: 806-897-2
Nikkaji: J238.216D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 169 · 169-172°C
끓는 점: 303.2 · 303.2±27.0 °C(Predicted)
밀도: 1.248 · 1.248±0.06 g/cm3(Predicted)
증기압: 0.083 Pa · 0.083Pa at 25℃
저장 조건: Room Temperature
용해도: DMSO (약간 용해됨), 에탄올 (약간 용해됨,초음파처리), 메탄올 (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.74 · 9.74±0.26(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3
InChIKey: SZBDOFWNZVHVGR-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(N)C1=CC=C(O)C=C1