CAS 944591-57-5 4-((Morpholino)methyl)phenylboronic acid pinacol ester hydrochloride (HCID 46739014)

기본 정보

CAS: 944591-57-5
표준 SMILES: CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.Cl
InChIKey: XUHPRNOSIRFDFA-UHFFFAOYSA-N
분자식: C17H27BClNO3
평균 분자량: 339.7 g/mol
단동위원소 질량: 339.1772516

이름 및 식별자

우선 이름: 4-((Morpholino)methyl)phenylboronic acid pinacol ester hydrochloride
IUPAC: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride
현지명: 4-(4-MORPHOLINOMETHYL)-페닐보론산피나콜에스테르염산염
영어명: 4-(4-Morpholinomethyl)-phenylboronic acid pinacol ester hydrochloride
분자식: C17H27BClNO3
분자량: 339.67

이름 및 동의어

4-((morpholino)methyl)phenylboronic acid pinacol ester hydrochlorideRefChem:509863941-091-5944591-57-54-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine hydrochloride4-(4-MORPHOLINOMETHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDEMFCD066578944-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride4-(4-MORPHOLINOMETHYL)PHENYLBORONIC ACID PINACOL ESTER, HCL4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine hydrochlorideAS-25644-(4-Morpholinomethyl)phenylboronic acid pinacol ester HCl

이름 더 보기

4-(4-MORPHOLINOMETHYL)-페닐보론산피나콜에스테르염산염4-(4-Morpholinomethyl)phenylboronic acidpinacol ester,HCl4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine hydrochloride

F881704-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine--hydrogen chloride (1/1)SCHEMBL5334250DTXSID10674655XUHPRNOSIRFDFA-UHFFFAOYSA-N4-(4-MORPHOLINOMETHYL)-PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDEAKOS015893497AB25743

물성

구조 계산 물성

극성 표면적: 30.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 358

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C17H26BNO3.ClH/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;/h5-8H,9-13H2,1-4H3;1H
InChIKey: XUHPRNOSIRFDFA-UHFFFAOYSA-N
SMILES: CC1(C(OB(C2C=CC(CN3CCOCC3)=CC=2)O1)(C)C)C.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

안전 데이터

HS 번호: 2934999090

화학 및 산업

공급사20 곳

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [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]

화합물 노트

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4-(4-MORPHOLINOMETHYL)-페닐보론산피나콜에스테르염산염