기본 정보
- CAS
883738-41-8- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1- InChIKey
MHBAAGYJKTZUKJ-UHFFFAOYSA-N- 분자식
- C22H33BN2O5
- 평균 분자량
- 416.3 g/mol
- 단동위원소 질량
- 416.2482523
이름 및 식별자
- 우선 이름
- (3-(4-BOC-piperazine-1-carbonyl)phenyl)boronic acid pinacol ester
- IUPAC
- tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate
- 현지명
- 3-(4-BOC-PIPERAZINE-1-CARBONYL)벤젠보론산피나콜에스테르
- 영어명
- 3-(4-Boc-piperazine-1-carbonyl)benzeneboronic acid pinacol ester
- 분자식
- C22H33BN2O5
- 분자량
- 416.32
이름 및 동의어
[3-(4-Boc-Piperazine-1-carbonyl)phenyl]boronic acid pinacol ester(3-(4-BOC-piperazine-1-carbonyl)phenyl)boronic acid pinacol esterRefChem:399563805-192-7883738-41-8tert-Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperazine-1-carboxylateMFCD092661853-(4-Boc-piperazine-1-carbonyl)phenylboronic acid pinacol estertert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylateDTXSID60674680(3-(4-(TERT-BUTOXYCARBONYL)PIPERAZINE-1-CARBONYL)PHENYL)BORONIC ACID PINACOL ESTER3-(4-Boc-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester
이름 더 보기
3-(4-BOC-PIPERAZINE-1-CARBONYL)벤젠보론산피나콜에스테르3-(4-Boc-piperazine-1-carbonyl)phenylboronic acid[3-(4-BOC-PIPERAZINE-1-CARBONYL)PHENYL] BORONIC ACID PINACOL ESTER1-BOC-4-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOYL]PIPERAZINE1-Piperazinecarboxylic acid, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-, 1,1-dimethylethyl ester
3-(4-BOC-PIPERAZINE-1-CARBONYL)BENZENEBORONIC ACID PINACOL ESTERtert-Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)benzoyl)piperazine-1-carboxylateSCHEMBL723951AKOS015999366AS-2290SY256488tert-Butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylateDB-419610
데이터베이스 식별자
- CAS
883738-41-8- PubChem CID
- 46739042
- DTXSID
DTXSID60674680- EC Number
- 805-192-7
물성
구조 계산 물성
- 극성 표면적
- 68.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 끓는 점
- 549 · 549.0±45.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -0.35 · -0.35±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
공급사28 곳
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海苏为科新材料有限公司18896959461 · [email protected]
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苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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武汉凯威斯科技有限公司027-67849912 · [email protected]
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