1-アミノ-4-メチルピペラジン
1-アミノ-4-メチルピペラジン · 1-メチルピペラジン-4-アミン · 4-メチル-1-ピペラジンアミン · 4-メチルピペラジン-1-アミン · 4-メチル-1-アミノピペラジン · 1-アミノー4-メチルーピペラジン · 1‐アミノ‐4‐メチルピペラジン · 1-メチル-4-アミノピペラジン
識別子と物理属性
| CAS No. | 6928-85-4 |
|---|---|
| 分子式 | C5H13N3 |
| 平均分子量 | 115.18 g/mol |
| 単同位体質量 | 115.11094742 g/mol |
| SMILES | CN1CCN(N)CC1 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| PubChem CID | 81349 |
| ChEMBL | CHEMBL3560514 |
| ChEBI | CHEBI:230450 |
| EC No. | 230-053-7 |
| DTXSID | DTXSID3057808 |
| 現地名 | 1-アミノ-4-メチルピペラジン |
化学・物理的性質
| XLogP | -1.1 |
|---|---|
| 極性表面積 | 32.5 |
| 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 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 66.1 |
| 物質分類 | Nitrogen Compounds -> Piperazines |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| 沸点 | 172-175 °C (lit.) |
| 密度 | 0.957 g/mL at 25 °C (lit.) |
| 蒸気圧 | 1.29hPa at 25℃ |
| 屈折率 | 1.4835-1.4855 |
| 引火点 | 62 °C |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解度 | 水溶性混和性 |
| 外観・状態 | 粘性溶液 |
| pKa（酸解離定数） | 7+-.0.42(Predicted) |
| 色 | クリア |
| BRN | 103334 |
| InChI | 1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| SMILES | CN1CCN(N)CC1 |
| LogP（分配係数） | -1.61 at 25℃ |
| CAS データベース | 6928-85-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Amino-4-methylpiperazine(6928-85-4) |
化学的特性
clear colorless to light yellow liquid
安全性と法規制
| GHS 分類 | WarningH302 (32%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 125 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Piperazinamine, 4-methyl-Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/197741-Amino-4-methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (32%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | 2733 |
| 税関コード | 29335995 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | 新規公示化学物質（2011年3月31日以前届出） |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 24/25-36-26 |
| 危険等級 | 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
1-Amino-4-methylpiperazine has been used:in synthesis of pyrazolo-pyrazine, -pyridine derivatives and 2-[(4-methylpiperazin-1-yl)iminomethyl]phenolas a solvating and stabilizing agent in the preparation of uniform Ag nanoparticles (<10nm)synthesis of N-(4-Fluorobenzylidene)-4-methylpiperazin1-aminesynthesis of 4-Methyl-N-(3,4,5-trimethoxybenzylidene) piperazin-1-aminesynthesis of N-(3,4-Dichlorobenzylidene)-4- methylpiperazin-1-aminesynthesis of N-(4-(Diethylamino)benzylidene)-4- methylpiperazin-1-aminesynthesis of N-(2,5-Dimethoxybenzylidene)-4- methylpiperazin-1-aminesynthesis of 4-Methyl-N-((5-nitrofuran-2- yl)methylene)piperazin-1-amine
製法・合成法
製造方法
1-Amino-4-methylpiperazine is obtained from piperazine hexahydrate through the steps of methylation, hydrolysis, nitrosation and reduction.1-Amino-4-methylpiperazine is synthesized by chlorination of methyl(diethanol)amine (I) and subsequent cyclization of the di(chloroethyl)amine (II) obtained in aqueous hydrazine.