기본 정보
- CAS
883738-27-0- 표준 SMILES
CN1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1- InChIKey
PESZAXRJFGLGTR-UHFFFAOYSA-N- 분자식
- C18H29BN2O2
- 평균 분자량
- 316.2 g/mol
- 단동위원소 질량
- 316.2322083
이름 및 식별자
- 우선 이름
- 1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine
- IUPAC
- 1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
- 현지명
- 3-(4-메틸-1-피페라지닐메틸)벤젠보론산피나콜에스테르
- 영어명
- 3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 97%
- 분자식
- C18H29BN2O2
- 분자량
- 316.25
이름 및 동의어
1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazineRefChem:434328677-217-8883738-27-03-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol esterMFCD092661811-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester1-Methyl-4-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine3-((4-Methylpiperazin-1-yl)methyl)-phenylboronic acid pinacol ester
이름 더 보기
3-(4-메틸-1-피페라지닐메틸)벤젠보론산피나콜에스테르1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,33-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ...3-(4-Methyl-1-piperazinylmethyl)benzeneboronicacidpinacolester,97%3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, 97%
물성
구조 계산 물성
- 극성 표면적
- 24.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 392
물리화학적 성질
- 녹는점
- 46 °C · 46 °C
- 끓는 점
- 420.7 · 420.7±35.0 °C(Predicted)
- 밀도
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.59 · 7.59±0.10(Predicted)
- 색상
- White to Light yellow to Light orange
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (12.5%): 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 8 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 (12.5%)
안전 데이터
- HS 번호
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
화학 및 산업
상·하류 제품 정보
상류 원료
공급사44 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
郑州药领医药科技有限公司
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