4-(모르폴린)카르복스아미드페닐보론산,피나콜에스테르

4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)morpholine

HCID 2760141CAS 656239-38-2

부분 구조 검색 유사 구조 찾기

기본 정보

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 Å²
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

GHS 분류

GHS Classification · 4건

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

화학 및 산업

공급사50 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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