4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester

HCID 4625910

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基本情報

CAS: 690636-28-3
標準SMILES: CC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C
InChIKey: ZHMKOJLQGMTKKB-UHFFFAOYSA-N
分子式: C18H28BNO4
平均分子量: 333.2 g/mol
単同位体質量: 333.21113878

名称と識別子

優先名称: 4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester
IUPAC: 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
英語名: 4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE
分子式: C19H29BN2O4
分子量: 360.26

名称と別名

690636-28-34-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol esterRefChem:512684689-111-94-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholineMFCD044408574-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine4-(2-Morpholinoethoxy)phenylboronic acid, pinacol4-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}morpholineDTXSID709999924-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl) phenoxy]ethyl}morpholine4-(2-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenoxy)ethyl)morpholine

名称をさらに表示

n-(2-Morpholinoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-Morpholinoethylcarbamoyl)benzeneboronic acid pinacol ester4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester 97%N-[2-(Morpholin-4-yl)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINEBenzamide, N-[2-(4-morpholinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

4-(2-Morpholinoethoxy)phenylboronic acid, pinacol ester4-(2-Morpholinoethoxy)phenylboronic acid pinacol esterKM7V3JLA5USCHEMBL171775ZHMKOJLQGMTKKB-UHFFFAOYSA-N(4-(2-MORPHOLINOETHOXY)PHENYL)BORONIC ACID PINACOL ESTERSBB0525484-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}morpholine

データベース識別子

CAS: 690636-28-3、787591-39-3
PubChem CID: 4625910
DTXSID: DTXSID70999992
UNII: KM7V3JLA5U
EC Number: 689-111-9

物性

構造計算による物性

極性表面積: 40.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 24
形式電荷: 0
複雑度: 388

物理化学的性質

沸点: 526.5 · 526.5±45.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 14.5 · 14.50±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.