에틸4-아미노페닐아세테이트

p-Aminophenylacetic acid ethyl ester

HCID 225219CAS 5438-70-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)Cc1ccc(N)cc1
InChIKey: CFNDVXUTYPXOPG-UHFFFAOYSA-N
분자식: C10H13NO2
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.09462866

이름 및 식별자

우선 이름: p-Aminophenylacetic acid ethyl ester
IUPAC: ethyl 2-(4-aminophenyl)acetate
현지명: 에틸4-아미노페닐아세테이트
영어명: Ethyl 4-aminophenylacetate
분자식: C10H13NO2
분자량: 179.22

이름 및 동의어

Ethyl 4-Aminophenylacetate5438-70-0ethyl 2-(4-aminophenyl)acetatep-Aminophenylacetic acid ethyl ester4-Aminophenylacetic acid ethyl esterEthyl p-aminophenylacetateBenzeneacetic acid, 4-amino-, ethyl esterEthyl 4-aminobenzeneacetateNSC-14373UNII-5H8CFU7GNP4-((Ethoxycarbonyl)methyl)aniline5H8CFU7GNP

이름 더 보기

에틸4-아미노페닐아세테이트H-APH(4)-OETTIMTEC-BB SBB005813LABOTEST-BB LT011481162-(4-aminophenyl)butanoateEthyl 4-Aminophenylacetate >Ethyl 4-aminophenylacetate, 98 %ethyl 2-(4-aminophenyl)ethanoateEthyl 4-aMinophenylacetate, 98% 1GR

Acetic acid, (p-aminophenyl)-, ethyl ester(4-((Ethoxycarbonyl)methyl)phenyl)aminep-Aminophenylacetic acid ethyl ester [MI]DTXSID30202752[4-[(Ethoxycarbonyl)methyl]phenyl]amineethyl 2-[4-aminophenyl]acetateRefChem:169278DTXCID60125243

데이터베이스 식별자

CAS: 5438-70-0
PubChem CID: 225219
DTXSID: DTXSID30202752
UNII: 5H8CFU7GNP
EC Number: 672-760-7
Nikkaji: J81.033I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 48 · 48-50 °C
끓는 점: 120 · 120-122 °C(Press: 2 Torr)
밀도: 1.112 · 1.112±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.55 · 4.55±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
InChIKey: CFNDVXUTYPXOPG-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)=CC=C(N)C=C1

화학적 성질

pinkish-white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

HS 번호: 29163400
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도Used as an intermediate in pharmaceutical research.

상·하류 제품 정보

상류 원료

Benzeneacetyl chloride, 4-[(2,2,2-trifluoroacetyl)amino]-{4-[(trifluoroacetyl)amino]phenyl}acetic acid 4-(2,5-디메틸-1H-PYRROL-1-YL)벤잘데히드 4-아세트아미도페닐아세트산에틸에스테르 1-(4-브로모페닐)-2,5-디메틸-1H-피롤 [4-(2,5-디메틸-1H-PYRROL-1-YL)페닐]-아세트산 p-초산니트로벤젠 Ethyl 4-nitrophenylacetate 에틸알코올 4-브로모아닐린 4-아미노페놀 4-Aminophenylacetic acid

하류 제품

(4-아미노-3-요오도-페닐)-아세트산에틸에스테르 Ethyl 2-(4-(ethylamino)phenyl)acetate

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东普创医药科技有限公司18953403321 · [email protected]

南京迪恩赛尔生物科技有限公司19951952469 · [email protected]

연결된 노트

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