N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamide

HCID 44119373CAS 874290-95-6

基本情報

標準SMILES: CC1(C)OB(c2ccc(NC(=O)N3CCCC3)cc2)OC1(C)C
InChIKey: YYWNYUFLSXVMRD-UHFFFAOYSA-N
分子式: C17H25BN2O3
平均分子量: 316.2 g/mol
単同位体質量: 316.19582306

名称と識別子

優先名称: N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamide
IUPAC: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
英語名: 4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97
分子式: C17H25BN2O3
分子量: 316.2

名称と別名

874290-95-6N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-pyrrolidinecarboxamideN-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinecarboxamideRefChem:361642N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamideN-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamideMFCD086895144-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester1-PyrrolidinecarboxaMide, N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(Pyrrolidinylcarbonylamino)phenylboronic acid, pinacol ester4-(Pyrrolidinylcarbonylamino)phenylboronic acid pinacol esterSCHEMBL20912361

名称をさらに表示

4-(Pyrrolidine-1-carbonylamino)benzeneboronic acid pinacol ester, 97%4-(Pyrrolidine-1-carbonylamino)benzeneboronic acid pinacol ester, 97%4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 974-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97%N-(4-(4,4,5,5-tetramethyl-1,3,2-diboronalkane-2-yl)phenyl)pyrolidine-1-carboxamide

DTXSID706571814-(1-Pyrrolidinylcarbonylamino)benzeneboronic acid pinacol ester, 97%AKOS016001233AS-55267SY256628DB-348859CS-0006833I12400

データベース識別子

CAS: 874290-95-6
PubChem CID: 44119373
DTXSID: DTXSID70657181
EC Number: 691-928-0

物性

構造計算による物性

極性表面積: 50.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 23
形式電荷: 0
複雑度: 425

物理化学的性質

融点: 243 · 243-245
沸点: 492.4 · 492.4±37.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): 13.08 · 13.08±0.70(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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

安全データ

hs_code: 2933998090
hazard_code: Xi
hazard_note: Irritant/Keep Cold

化学と産業

サプライヤー21 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]