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

基本情報

CAS: 944591-57-5
標準SMILES: CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.Cl
InChIKey: XUHPRNOSIRFDFA-UHFFFAOYSA-N
分子式: C17H27BClNO3
平均分子量: 339.7 g/mol
単同位体質量: 339.1772516

名称と識別子

優先名称: 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
英語名: 4-(4-Morpholinomethyl)-phenylboronic acid pinacol ester hydrochloride
分子式: C17H27BClNO3
分子量: 339.67

名称と別名

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

名称をさらに表示

4-(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

物性

構造計算による物性

極性表面積: 30.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 23
形式電荷: 0
複雑度: 358

物理化学的性質

貯蔵温度: 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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

hs_code: 2934999090

化学と産業

サプライヤー20 社

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]

化合物ノート

読み込み中…

4-((Morpholino)methyl)phenylboronic acid pinacol ester hydrochloride