기본 정보
- CAS
900503-08-4- 표준 SMILES
CC(C)(C)OC(=O)N1C2C=C(B3OC(C)(C)C(C)(C)O3)CC1CC2- InChIKey
JNHGCLCLMOCPCQ-UHFFFAOYSA-N- 분자식
- C18H30BNO4
- 평균 분자량
- 335.2 g/mol
- 단동위원소 질량
- 335.22678884
이름 및 식별자
- 우선 이름
- Tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo(3.2.1)oct-2-ene-8-carboxylate
- IUPAC
- tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
- 영어명
- tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
- 분자식
- C18H30BNO4
- 분자량
- 335.25
이름 및 동의어
tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylateTert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo(3.2.1)oct-2-ene-8-carboxylateRefChem:893160831-948-0900503-08-4TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-8-AZABICYCLO[3.2.1]OCT-3-ENE-8-CARBOXYLATEtert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate8-Boc-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-eneMFCD22380007C18H30BNO48-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester8-boc-8-azabicyclo[3.2.1]oct-3-ene-3-boronic acid pinacol ester
이름 더 보기
-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate8-Boc-8-aza-bicyclo3.2.1oct-2-ene-3-boronic acid picol estertert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8...N-BOC-8-AZABICYCLO[3.2.1]OCT-2-ENE-2-BORONIC ACID, PINACOL ESTER8-Boc-8-azabicyclo[3.2.1]oct-3-ene-3-boronic acid pinacol ester - [A11387]
물성
구조 계산 물성
- 극성 표면적
- 48 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 548
물리화학적 성질
- 끓는 점
- 378.2 · 378.2±52.0 °C(Predicted)
- 밀도
- 1.08 · 1.08
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -1.34 · -1.34±0.40(Predicted)
- InChI
- InChI=1S/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
- InChIKey
- JNHGCLCLMOCPCQ-UHFFFAOYSA-N
- SMILES
- C12N(C(OC(C)(C)C)=O)C(CC1)CC(B1OC(C)(C)C(C)(C)O1)=C2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
상·하류 제품 정보
상류 원료
공급사81 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
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