(4-아미노페녹시)아세트산메틸에스테르

Methyl(4-aminophenoxy)acetate

HCID 6422115

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59954-04-0
표준 SMILES: COC(=O)COc1ccc(N)cc1
InChIKey: YDWPOGYTJVQQIL-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: Methyl(4-aminophenoxy)acetate
IUPAC: methyl 2-(4-aminophenoxy)acetate
현지명: (4-아미노페녹시)아세트산메틸에스테르
영어명: (4-Aminophenoxy)acetic acid methyl ester
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

Methyl(4-aminophenoxy)acetateRefChem:818410804-993-959954-04-0methyl 2-(4-aminophenoxy)acetatemethyl (4-aminophenoxy)acetate(4-aminophenoxy)acetic acid methyl esterAcetic acid, (4-aminophenoxy)-, methyl esterMFCD03942351C9H11NO3Acetic acid, (4-aminophenoxy)-, methyl ester, hydrochloridemethyl 4-aminophenoxyacetate

이름 더 보기

(4-아미노페녹시)아세트산메틸에스테르methyl 2-(4-aminophenoxy)ethanoate2-(4-aminophenoxy)acetic acid methyl estermethyl (4-aminophenoxy)acetate hydrochloridemethyl (4-aminophenoxy)acetate(SALTDATA: FREE)

(4-Aminophenoxy)acetic acid, methyl esterAcetic acid, 2-(4-aminophenoxy)-, methyl ester4-methoxycarbonylmethoxyanilineSCHEMBL223169methyl (p-aminophenoxy)acetatemethyl2-(4-aminophenoxy)acetateDTXSID30423642ALBB-025582

데이터베이스 식별자

CAS: 59954-04-0
PubChem CID: 6422115
DTXSID: DTXSID30423642
EC Number: 804-993-9
Nikkaji: J90.075C

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 61.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 164

물리화학적 성질

녹는점: 65 · 65-66 °C(Solv: water (7732-18-5))
끓는 점: 306.4 · 306.4±17.0 °C(Predicted)
밀도: 1.19 · 1.190±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
용해도: 디클로로메탄에 용해됨
산도 계수 (pKa): 4.88 · 4.88±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2922500090

화학 및 산업

응용 분야 · 1건

용도Methyl (4-Aminophenoxy)acetate is an intermediate in synthesizing 2-(4-(Methylsulfonamido)phenoxy)acetic Acid-13C (M332217), an isotopically labelled analogue of 2-(4-(Methylsulfonamido)phenoxy)acetic Acid (M332215), which is a metabolite of antiarrhythmic drug Dofetilide (D525700), a potassium channel blocker.