기본 정보
- CAS
885693-20-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1- InChIKey
KEEIJBAOTMNSEN-UHFFFAOYSA-N- 분자식
- C16H28BNO4
- 평균 분자량
- 309.2 g/mol
- 단동위원소 질량
- 309.21113878
이름 및 식별자
- 우선 이름
- Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
- IUPAC
- tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
- 영어명
- tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
- 분자식
- C16H28BNO4
- 분자량
- 309.21
이름 및 동의어
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateRefChem:894145828-445-3885693-20-9tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate1-BOC-5,6-DIHYDRO-2H-PYRIDINE-3-BORONIC ACID PINACOL ESTERTERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATEMFCD10697911tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate1-BOC-3,6-DIHYDRO-2H-PYRIDINE-5-BORONIC ACID PINACOL ESTERSY008465N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester
이름 더 보기
tert-butyl 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate-5,6-dihydropyridine-1(2H)2-[1-(tert-Butoxycarbonyl)-1,2,5,66-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE1-Boc-3,6-dihydropyridine-5-boronic acid pinacol ester1-Boc-5,6-dihydro-2H-pyridine-3-boronic acid picol ester
1-(tert-Butoxycarbonyl)-1,2,5,6-tetrahydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridinetert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolZ1508686554tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateSCHEMBL520363DTXSID70678619AKOS015841253CS-W005209
데이터베이스 식별자
- CAS
885693-20-9- PubChem CID
- 49835909
- DTXSID
DTXSID70678619- EC Number
- 828-445-3
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
- 22
- 형식 전하
- 0
- 복잡도
- 463
물리화학적 성질
- 녹는점
- 105 °C · 105 °C
- 끓는 점
- 348 · 348.0±52.0 °C(Predicted)
- 밀도
- 1.05 · 1.05
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -1.17 · -1.17±0.40(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
- InChIKey
- KEEIJBAOTMNSEN-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)CC(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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933399990
- 스토리지 클래스
- 11 - Combustible Solids
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