기본 정보
- 표준 SMILES
CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1- InChIKey
MMPSFTZVUMTCKV-UHFFFAOYSA-N- 분자식
- C22H25FN4O2
- 평균 분자량
- 396.5 g/mol
- 단동위원소 질량
- 396.19615422
이름 및 식별자
- 우선 이름
- Ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-YL]amino]piperidine-1-carboxylate
- IUPAC
- ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
- 영어명
- Ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidine-1-carboxylate
- 분자식
- C22H25FN4O2
- 분자량
- 396.46
이름 및 동의어
84501-68-8N-Ethoxycarbonyl NorastemizoleETHYL 4-[[1-[(4-FLUOROPHENYL)METHYL]-1H-BENZIMIDAZOL-2-YL]AMINO]PIPERIDINE-1-CARBOXYLATEethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylateEthyl 4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)piperidine-1-carboxylateEINECS 282-988-51-Piperidinecarboxylicacid, 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-, ethyl esterEthyl 4-[[1-[(4-Fluorophenyl)methyl]-1h-benzimidazol-2-yl]amino]piperidine-1-carboxylate; 4-[[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylic acid Ethyl Ester;SCHEMBL6995354DTXSID30233501AKOS030254754ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate
이름 더 보기
Astemizole Impurity 2 (N-Ethoxycarbonyl Norastemizole)ethyl 4-((1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)amino)piperidine-1-carboxylate4-[1-(4-Fluorobenzyl)-1H-benzimidazole-2-ylamino]piperidine-1-carboxylic acid ethyl ester4-[[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylic acid ethyl ester4-[[1-[(4-Fluorophenyl)Methyl]-1H-benziMidazol-2-yl]aMino]-1-piperidinecarboxylic acid Ethyl Ester1-Piperidinecarboxylic acid, 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-, ethyl ester
NS00038523(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl)(1-ethoxycarbonylpiperidin-4-yl)amine(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl)-(1-ethoxycarbonyl-piperidin-4-yl)amineethyl 4-[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-ylamino]-1-piperidinecarboxylateEthyl 4-({1-[(4-fluorophenyl)methyl]-1H-1,3-benzimidazol-2-yl}amino)piperidine-1-carboxylate
데이터베이스 식별자
- CAS
84501-68-8- PubChem CID
- 3019916
- DTXSID
DTXSID30233501- EC Number
- 282-988-5
- Nikkaji
- J297.737K
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 59.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 535
물리화학적 성질
- 녹는점
- 179 · 179-182°C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
용도Intermediate in the production of antihistamines
상·하류 제품 정보
하류 제품
공급사5 곳
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