에틸5-(4-tert-부톡시카르보닐-1-피페라지닐)벤조푸란-2-카르복실레이트

1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester

HCID 11176275CAS 183288-43-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2o1
InChIKey: UGJBHBXXMCVEIH-UHFFFAOYSA-N
분자식: C20H26N2O5
평균 분자량: 374.4 g/mol
단동위원소 질량: 374.18417193

이름 및 식별자

우선 이름: 1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester
IUPAC: tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate
현지명: 에틸5-(4-tert-부톡시카르보닐-1-피페라지닐)벤조푸란-2-카르복실레이트
영어명: Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate
분자식: C20H26N2O5
분자량: 374.43

이름 및 동의어

1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester1-Piperazinecarboxylic acid, 4-(2-(ethoxycarbonyl)-5-benzofuranyl)-, 1,1-dimethylethyl esterRefChem:435778695-998-3183288-43-9tert-Butyl 4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine-1-carboxylateMFCD216074211-BOC-4-(2-(ETHOXYCARBONYL)BENZOFURAN-5-YL)PIPERAZINEtert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylateSCHEMBL1886952AKOS0160054374-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxylic acid tert-butyl ester

이름 더 보기

에틸5-(4-tert-부톡시카르보닐-1-피페라지닐)벤조푸란-2-카르복실레이트EOS-604434-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxyli...ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate(C3)4-[2-(Ethoxycarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic acid tert-butyl ester

ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-caboxylatetert-Butyl4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine-1-carboxylateEthyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate1-piperazinecarboxyliSCHEMBL29881798DTXSID80457795CS-M1869Tert-butyl 4-(2-ethoxycarbonylbenzofuran-5-yl)piperazine-1-carboxylate

데이터베이스 식별자

CAS: 183288-43-9
PubChem CID: 11176275
DTXSID: DTXSID80457795
EC Number: 695-998-3

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 72.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 539

물리화학적 성질

끓는 점: 494 · 494.0±45.0 °C(Predicted)
밀도: 1.202 · 1.202
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.13 · 0.13±0.70(Predicted)
InChI: InChI=1S/C20H26N2O5/c1-5-25-18(23)17-13-14-12-15(6-7-16(14)26-17)21-8-10-22(11-9-21)19(24)27-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKey: UGJBHBXXMCVEIH-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=CC=C3OC(C(OCC)=O)=CC3=C2)CC1

안전 및 규제

GHS 분류

GHS Classification · 3건

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (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 CategoriesAquatic Chronic 2 (100%)

안전 데이터

유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H411

화학 및 산업

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

연결된 노트

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