기본 정보
- CAS
864068-79-1- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(CO)cs2)CC1- InChIKey
RDZWXODJIWMJPE-UHFFFAOYSA-N- 분자식
- C14H22N2O3S
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.13511374
이름 및 식별자
- 우선 이름
- Tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
- 영어명
- TERT-BUTYL 4-[4-(HYDROXYMETHYL)-1,3-THIAZOL-2-YL]PIPERIDINE-1-CARBOXYLATE
- 분자식
- C14H22N2O3S
- 분자량
- 298.4
이름 및 동의어
864068-79-1tert-Butyl 4-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxylatetert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate4-(4-Hydroxymethyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl esterMFCD07368657C14H22N2O3Stert-butyl 4-[4-(hydroxymethyl)thiazol-2-yl]piperidine-1-carboxylateSCHEMBL3144261DTXSID10428175RDZWXODJIWMJPE-UHFFFAOYSA-NAKOS024258374SB39138
이름 더 보기
1-Piperidinecarboxylic acid, 4-[4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester
MS-22256DB-010760CS-0326225F457114tert-Butyl4-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxylate1-(1,1-dimethylethyl) 4-(4-hydroxymethyl-2-thiazolyl)-1-piperidine-carboxylate1-(1,1-dimethylethyl) 4-(4-hydroxymethyl-2-thiazolyl)-1-piperidinecarboxylate1-(1,1-dimethylethyl) 4-[4-(hydroxymethyl)-2-thiazolyl]-1-piperidinecarboxylate
데이터베이스 식별자
- CAS
864068-79-1- PubChem CID
- 7164573
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 90.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 338
물리화학적 성질
- 녹는점
- 97 · 97-101℃
- 끓는 점
- 439.5 · 439.5±40.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.19 · 13.19±0.10(Predicted)
안전 및 규제
안전 데이터
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
화학 및 산업
공급사11 곳
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杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]
重庆卡兰医药有限公司[email protected]
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