4-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol ester

HCID 3460459

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基本情報

CAS: 878197-87-6
標準SMILES: CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: SATLWVSJANHADH-UHFFFAOYSA-N
分子式: C15H24BNO2
平均分子量: 261.17 g/mol
単同位体質量: 261.19000941

名称と識別子

優先名称: 4-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol ester
IUPAC: N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
英語名: 4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE
分子式: C15H24BNO2
分子量: 261.17

名称と別名

4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTERRefChem:509865804-825-4878197-87-6Dimethyl-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]amineN,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanaminedimethyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amineMFCD049711904-(N,N-Dimethylaminomethyl)phenylboronic Acid Pinacol EsterN,N-DIMETHYL-1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINEDimethyl-[4-(4,4,5,5-tetramethyl[1,3,2]-dioxaborolan-2-yl)benzyl]amineDIMETHYL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZYL]-AMINE

名称をさらに表示

4-[(Dimethylamino)methyl]benzeneboronicacid,pinacolester4-((N,N-Dimethylamino)methyl)phenylboronic acidpinacol esterHClN-DiMethylaMinoMethyl)phenylboronic acid pinacol ester hydrochloridedimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amineN,N-DIMETHYL(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINEBenzenemethanamine, N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDESCHEMBL5208264-(Dimethylaminomethyl)phenylboronic acid pinacol ester4-(N,N-Dimethylaminomethyl)phDTXSID20392691SATLWVSJANHADH-UHFFFAOYSA-NAC7055XH0336

データベース識別子

CAS: 878197-87-6
PubChem CID: 3460459
DTXSID: DTXSID20392691
EC Number: 804-825-4
Nikkaji: J3.421.904D

物性

構造計算による物性

極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 293

物理化学的性質

貯蔵温度: 2 · Sealed in dry,2-8°C

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.