기본 정보
- CAS
1251732-64-5- 표준 SMILES
CC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1- InChIKey
BQDDQHLYCAQNMX-UHFFFAOYSA-N- 분자식
- C17H30BNO4
- 평균 분자량
- 323.2 g/mol
- 단동위원소 질량
- 323.2267886
이름 및 식별자
- 우선 이름
- tert-butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
- IUPAC
- tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
- 영어명
- tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enylcarbamate
- 분자식
- C17H30BNO4
- 분자량
- 323.24
이름 및 동의어
tert-Butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamatetert-butyl N-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamateRefChem:896081856-433-81251732-64-5tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamateTERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYLCARBAMATEMFCD12032216TERT-BUTYL N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-EN-1-YL]CARBAMATE4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol EsterCarbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]-, 1,1-dimethylethyl ester(4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTER
이름 더 보기
4-Boc-amino-cyclohex-1-enyl-boronic acid picol estertert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enylcarbamate 97%tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enylcarbamate 95+%2-Methyl-2-propanyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexen-1-yl]carbamate
물성
구조 계산 물성
- 극성 표면적
- 56.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 477
물리화학적 성질
- 밀도
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 산도 계수 (pKa)
- 12.5 · 12.50±0.40(Predicted)
- InChI
- InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20)
- InChIKey
- BQDDQHLYCAQNMX-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1CCC(B2OC(C)(C)C(C)(C)O2)=CC1
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2931900090
화학 및 산업
공급사94 곳
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
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