1-피페리딘카르복실산,3-[(R)-(3-클로로페닐)[2-[(메톡시카르보닐)아미노]에톡시]메틸]-,1,1-디메틸에틸에스테르,(3R)-
1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(methoxycarbonyl)amino]ethoxy]methyl]-, 1,1-dimethylethyl ester, (3R)-
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기본 정보
- CAS
942142-79-2- 표준 SMILES
COC(=O)NCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
CEMFUCYZRBNMRO-AEFFLSMTSA-N- 분자식
- C21H31ClN2O5
- 평균 분자량
- 426.9 g/mol
- 단동위원소 질량
- 426.19214977
이름 및 식별자
- 우선 이름
- 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(methoxycarbonyl)amino]ethoxy]methyl]-, 1,1-dimethylethyl ester, (3R)-
- IUPAC
- tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carboxylate
- 현지명
- 1-피페리딘카르복실산,3-[(R)-(3-클로로페닐)[2-[(메톡시카르보닐)아미노]에톡시]메틸]-,1,1-디메틸에틸에스테르,(3R)-
- 영어명
- 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-
- 분자식
- C21H31ClN2O5
- 분자량
- 426.93
이름 및 동의어
942142-79-2(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-((methoxycarbonyl)amino)ethoxy)methyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(methoxycarbonyl)amino]ethoxy]methyl]-, 1,1-dimethylethyl ester, (3R)-tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carboxylateC21H31ClN2O5SCHEMBL968963DTXSID40732474CEMFUCYZRBNMRO-AEFFLSMTSA-NCS-B0228MFCD13184691AKOS037649975(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate
이름 더 보기
1-피페리딘카르복실산,3-[(R)-(3-클로로페닐)[2-[(메톡시카르보닐)아미노]에톡시]메틸]-,1,1-디메틸에틸에스테르,(3R)-
1-Piperidinecarboxylic acid,3-[(R)-(3-chlorophenyl)[2-[(methoxycarbonyl)amino]ethoxy]methyl]-,1,1-dimethylethyl ester,(3R)-CS-13993(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methoxy-carbonylamino)ethoxy)methyl)piperidine-1-carboxylate(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methoxycarbonylamino)-ethoxy)methyl)piperidine-1-carboxylate(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methoxycarbonylamino)ethoxy)-methyl)piperidine-1-carboxylate(R)-tert-butyl3-((R)-(3-chlorophenyl)(2-((methoxycarbonyl)amino)ethoxy)methyl)piperidine-1-carboxylatetert-Butyl (3R)-3-[(3-chlorophenyl){2-[(methoxycarbonyl)amino]ethoxy}methyl]piperidine-1-carboxylatetert-Butyl (3R)-3-[(R)-(3-chlorophenyl){2-[(methoxycarbonyl)amino]ethoxy}methyl]piperidine-1-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 3.6
- 극성 표면적
- 77.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 540
물리화학적 성질
- 끓는 점
- 526 · 526.0±35.0 °C(Predicted)
- 밀도
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.92 · 11.92±0.46(Predicted)
화학 및 산업
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하류 제품
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