4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride

HCID 44119573

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部分構造検索類似構造を探す

基本情報

CAS: 913835-43-5
標準SMILES: CN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1.Cl
InChIKey: OUEWYSQRULKJEQ-UHFFFAOYSA-N
分子式: C12H18BClN2O3
平均分子量: 284.55 g/mol
単同位体質量: 284.10990052

名称と識別子

優先名称: 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride
IUPAC: [4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid;hydrochloride
英語名: 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
分子式: C12H18BClN2O3
分子量: 284.55

名称と別名

4-(4-methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride(4-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid hydrochlorideN-4-Methylpiperazinyl 4-boronobenzamide, HClMFCD090272174-[(4-Methylpiperazin-1-yl)carbonyl]benzeneboronic acid hydrochlorideN-4-Methylpiperazinyl 4-boronobenzamide hydrochlorideSCHEMBL2550272DTXSID60657296OUEWYSQRULKJEQ-UHFFFAOYSA-NAKOS025312333CS-0176085N-4-Methylpiperazinyl 4-boronobenzamide HCl

名称をさらに表示

4-(4-methyl-1-piperazinyl)phenylborate hydrochloride4-(4-Methyl-piperazin-1-carbonyl)phenylboronic acid HCl4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl4-[(4-Methylpiperazin-1-yl)carbonyl]benzeneboronicacidhydrochloride95%4-(4-Methylpiperazine-1-carbonyl)benzeneboronic acid hydrochloride, 95%(4-((4-Methylpiperazin-1-yl)carbaMoyl)phenyl)boronic acid hydrochloride

H11694F691768[4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid;hydrochloride(4-((4-METHYLPIPERAZIN-1-YL)CARBAMOYL)PHENYL)BORONIC ACID HCL[4-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid--hydrogen chloride (1/1)4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride, AldrichCPR

データベース識別子

CAS: 913835-43-5
PubChem CID: 44119573
DTXSID: DTXSID60657296

物性

構造計算による物性

極性表面積: 64 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 285

物理化学的性質

融点: 187 · 187-189℃
貯蔵温度: Sealed in dry,Room Temperature
外見: solid

安全と法規制

安全データ

hs_code: 2933998090
risk_code: 36
hazard_code: Xi
hazard_note: Irritant
safety_code: 26

化学と産業

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