기본 정보
- CAS
160586-68-5- 표준 SMILES
Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OCc3ccccc3)CC2)cc1- InChIKey
JLWNIBRSVNTKHT-UHFFFAOYSA-N- 분자식
- C21H25NO5S
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.1453439
이름 및 식별자
- 우선 이름
- 4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
- 현지명
- 4-(톨루엔-4-술포닐옥시메틸)-피페리딘-1-카르복실산벤질에스테르
- 영어명
- 4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid benzyl ester, 98 %
- 분자식
- C21H25NO5S
- 분자량
- 403.49
이름 및 동의어
160586-68-54-(TOLUENE-4-SULFONYLOXYMETHYL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTERbenzyl 4-((tosyloxy)methyl)piperidine-1-carboxylatebenzyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylateMFCD09054710benzyl 4-(p-tolylsulfonyloxymethyl)piperidine-1-carboxylateJLWNIBRSVNTKHT-UHFFFAOYSA-NA1-00414SCHEMBL4828216DTXSID10619546AKOS0173438901-Piperidinecarboxylicacid, 4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, phenylmethyl ester
이름 더 보기
4-(톨루엔-4-술포닐옥시메틸)-피페리딘-1-카르복실산벤질에스테르4-(Tosyloxymethyl)-N-(carbobenzyloxy)piperidine1-CBZ-4-(Toluene-4-sulfonyloxymethyl)-piperidine4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid benzyl ester, 98 %4-[[[(4-Methylphenyl)sulfonyl]oxy]methyl]-1-piperidinecarboxylic acid phenylmethyl ester1-Piperidinecarboxylic acid, 4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, phenylmethyl ester
4-tosyloxymethyl-N-carbobenzyloxypiperidine4-tosyloxymethyl-N-carbobenzyloxy piperidineDB-315926CS-0336999benzyl 4-(tosyloxymethyl)piperidine-1-carboxylateEN300-12624503Benzyl 4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}piperidine-1-carboxylate4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid benzyl ester, 98 per cent
데이터베이스 식별자
- CAS
160586-68-5- PubChem CID
- 21892078
- DTXSID
DTXSID10619546
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 580
물리화학적 성질
- 끓는 점
- 559.2 · 559.2±33.0 °C(Predicted)
- 밀도
- 1.238 · 1.238
- 산도 계수 (pKa)
- -1.99 · -1.99±0.40(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사9 곳
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