化工社化工社 化学情報印刷レポート · 研究参考用
2,5-ジメチルピペラジン
2,5-ジメチルピペラジン · 2,5-ジメチルピレラジン · Aids060673 · Aids-060673 · TIMTEC-BB SBB004303 · 2,5-Dimethylpiperazine · 2,5-dimethyl-piperazin · Piperazine, 2,5-dimethyl-
識別子と物理属性
| CAS No. | 106-55-8 |
|---|---|
| 分子式 | C6H14N2 |
| 平均分子量 | 114.19 g/mol |
| 単同位体質量 | 114.11569845 g/mol |
| SMILES | CC1CNC(C)CN1 |
| InChIKey | NSMWYRLQHIXVAP-UHFFFAOYSA-N |
| PubChem CID | 7816 |
| EC No. | 203-409-4 |
| DTXSID | DTXSID70861721 |
| 現地名 | 2,5-ジメチルピペラジン |
化学・物理的性質
| XLogP | 0 |
|---|---|
| 極性表面積 | 24.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 62.9 |
| 融点 | 113-118 °C |
| 沸点 | 162-165 °C |
| 密度 | 0.53 |
| 屈折率 | 1.4628 (estimate) |
| 引火点 | 58 °C |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 9.66(at 25℃) |
| InChI | InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3 |
| InChIKey | NSMWYRLQHIXVAP-UHFFFAOYSA-N |
| SMILES | N1CC(C)NCC1C |
| CAS データベース | 106-55-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Piperazine, 2,5-dimethyl-(106-55-8) |
| EPAの化学物質情報 | Piperazine, 2,5-dimethyl- (106-55-8) |
安全性と法規制
| GHS 分類 | DangerH228 (50%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H228 (100%): Flammable solid [Danger Flammable solids] |
|---|---|
| 規制情報 | Chemical: Piperazine, 2,5-dimethyl-Piperazine, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Sol. 1 (50%)Flam. Sol. 1 (100%) |
| TSCA 収載状態 | TSCA listed |
| 毒性 | rabbit,LD50,skin,800uL/kg (0.8mL/kg),AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
| 危険文句（R） | 34-21-11 |
| 危険表示 | C-F |
| 安全措置（S） | 45-36/37/39-26-16 |
用途
使用
Trans-2,5-dimethylpiperazine is primarily as a monomer for synthesizing a specific polyamide polymer, which is then used as a material for reverse osmosis membranes.[1]