N-(m-トリル)ピペラジン二塩酸塩

1-(m-Tolyl)piperazine dihydrochloride

HCID 83110

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 13078-13-2
標準SMILES: Cc1cccc(N2CCNCC2)c1.Cl.Cl
InChIKey: QJNWTYUDISMTMR-UHFFFAOYSA-N
分子式: C11H18Cl2N2
平均分子量: 249.18 g/mol
単同位体質量: 248.08470394

名称と識別子

優先名称: 1-(m-Tolyl)piperazine dihydrochloride
IUPAC: 1-(3-methylphenyl)piperazine;dihydrochloride
現地名: N-(m-トリル)ピペラジン二塩酸塩
英語名: 1-(3-Methylphenyl)piperazine dihydrochloride hydrate
分子式: C11H16N2.2ClH
分子量: 249.18

名称と別名

13078-13-21-(m-Tolyl)piperazine dihydrochloride1-(m-Tolyl)piperazine HClEINECS 235-974-8DTXSID80156736NSC 71662RefChem:74710DTXCID4079227235-974-8N-(m-Tolyl)piperazine Dihydrochloride1-(3-methylphenyl)piperazine dihydrochloride1-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE HYDRATE

名称をさらに表示

N-(m-トリル)ピペラジン二塩酸塩1-(3-メチルフェニル)ピペラジン二塩酸塩1-(M-トリル)ピペラジン二塩酸塩N-(m-トリル)ピペラジン二塩酸塩TIMTEC-BB SBB003158N-(M-Tolyl)piperazine diHCl1-(M-TOLYL)PIPERAZINE DI HCLM-TOLYLPIPERAZINE HYDROCHLORIDEN-(3-Methylphenyl)piperazinedi2HCl1-(m-Tolyl)piperazine hydrochloride

MFCD000352844-(3-methylphenyl)piperazine dihydrochlorideN-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDENSC-71662(3-methylphenyl)piperazine, chloride, chlorideN4ER3EG3YUSCHEMBL3143991-m-Tolylpiperazine dihydrochloride

データベース識別子

CAS: 13078-13-2
PubChem CID: 83110
DTXSID: DTXSID80156736
UNII: N4ER3EG3YU
EC Number: 235-974-8

物性

構造計算による物性

極性表面積: 15.3 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 195 · 195-202 °C
外見: powder to crystal
色: White to Almost white
CAS データベース: 13078 · 13078-13-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.