4-하이드록시-4-(3-메틸설파닐페닐)-피페리딘-1-카복실산tert-부틸에스테르

4-Hydroxy-4-(3-methylsulfanylphenyl)-piperidin-1-carboxylic acid tert-butyl ester

HCID 12988964CAS 346688-66-2

기본 정보

표준 SMILES
CSc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1
InChIKey
MPCBFZJWRUFXRZ-UHFFFAOYSA-N
분자식
C17H25NO3S
평균 분자량
323.5 g/mol
단동위원소 질량
323.15551466

이름 및 식별자

우선 이름
4-Hydroxy-4-(3-methylsulfanylphenyl)-piperidin-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-hydroxy-4-(3-methylsulfanylphenyl)piperidine-1-carboxylate
현지명
4-하이드록시-4-(3-메틸설파닐페닐)-피페리딘-1-카복실산tert-부틸에스테르
영어명
4-Hydroxy-4-(3-methylsulfanylphenyl)-piperidin-1-carboxylic Acid tert-Butyl Ester
분자식
C17H25NO3S
분자량
323.45

이름 및 동의어

346688-66-24-HYDROXY-4-(3-METHYLSULFANYLPHENYL)-PIPERIDIN-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-hydroxy-4-(3-methylsulfanylphenyl)piperidine-1-carboxylate4-Hydroxy-4-[3-(methylthio)phenyl]-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester;MPCBFZJWRUFXRZ-UHFFFAOYSA-NSCHEMBL4820978DTXSID205144524-Hydroxy-4-[3-(methylthio)phenyl]-1-piperidinecarboxylic Acid 1,1-Dimethylethyl EsterDB-316617tert-Butyl 4-hydroxy-4-[3-(methylsulfanyl)phenyl]piperidine-1-carboxylate4-hydroxy-4-(3-methylsulfanyl-phenyl)-piperidin-1-carboxylic acid tert-butyl ester4-하이드록시-4-(3-메틸설파닐페닐)-피페리딘-1-카복실산tert-부틸에스테르
이름 더 보기
1-Piperidinecarboxylic acid, 4-hydroxy-4-[3-(methylthio)phenyl]-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS
346688-66-2
PubChem CID
12988964
DTXSID
DTXSID20514452

물성

구조 계산 물성

XLogP
2.8
극성 표면적
75.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
22

물리화학적 성질

녹는점
110 · 110-112°C
끓는 점
460.2 · 460.2±45.0 °C(Predicted)
밀도
1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
soluble in Chloroform, Dichloromethane, Methanol
산도 계수 (pKa)
13.87 · 13.87±0.20(Predicted)

화학적 성질

Off-White Solid

화학 및 산업

공급사7 곳

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

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7건

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