4-(모르폴린)카르복스아미드페닐보론산,피나콜에스테르
4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine
기본 정보
- CAS
656239-38-2- 표준 SMILES
CC1(C)OB(c2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C- InChIKey
ZOPBEWUNCNLYSD-UHFFFAOYSA-N- 분자식
- C17H24BNO4
- 평균 분자량
- 317.2 g/mol
- 단동위원소 질량
- 317.17983865
이름 및 식별자
- 우선 이름
- 4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine
- IUPAC
- morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
- 현지명
- 4-(모르폴린)카르복스아미드페닐보론산,피나콜에스테르
- 영어명
- 4-(Morpholine)carboxamidophenylboronic acid, pinacol ester
- 분자식
- C17H24BNO4
- 분자량
- 317.19
이름 및 동의어
4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholineRefChem:513794675-080-9656239-38-2Morpholino(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone4-(Morpholine-4-carbonyl)phenylboronic acid pinacol esterMorpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneMFCD05863913C17H24BNO44-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholineMorpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone
이름 더 보기
4-(모르폴린)카르복스아미드페닐보론산,피나콜에스테르Morpholin-4-yl-[4-(44-(morpholine-4-carbonyl)benzeneboronic acidester4-(MORPHOLINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTERMorpholino(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)4-(Morpholin-4-ylcarbonyl)phenylboronic acid pinacol ester4-(4-Morpholinylcarbonyl)benzeneboronic acid pinacol ester4-((Morpholin-4-yl)carbonyl)benzeneboronic acid pinacol ester
4-(Morpholine-4-carbonyl)phenylboronicAcidPinacolEster4-(morpholine-4-carbonyl)phenylboronic acid, pinacol ester(4-(morpholine-4-carbonyl)phenyl)boronic acid pinacol ester4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester, 97%Morpholine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-SCHEMBL9514974-(Morpholine)carboxamidophenylboronic acid, pinacol esterDTXSID10375039
데이터베이스 식별자
- CAS
656239-38-2- PubChem CID
- 2760141
- DTXSID
DTXSID10375039- EC Number
- 675-080-9
물성
구조 계산 물성
- 극성 표면적
- 48 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 424
물리화학적 성질
- 녹는점
- 187 · 187-193°C
- 끓는 점
- 468.8 · 468.8±40.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 산도 계수 (pKa)
- -1.61 · -1.61±0.20(Predicted)
- InChI
- 1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
- InChIKey
- ZOPBEWUNCNLYSD-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)N3CCOCC3
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 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 CategoriesSkin Irrit. 2 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 2934999090
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
5건
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