化工社化工社 化学情報印刷レポート · 研究参考用
N,N,N',N'-テトラメチル-1,6-ジアミノヘキサン
N,N,N',N'-テトラメチル-1,6-ジアミノヘキサン · N,N,N',N'-テトラメチル-1,6-ヘキサンジアミン · ヘキサメチレンビス(ジメチルアミン) · N,N,N',N'-テトラメチルヘキサメチレンジアミン · N,N'-(ヘキサメチレン)ビス(ジメチルアミン) · 1,6-ビス(ジメチルアミノ)ヘキサン · N,N,N',N'-テトラメチルヘキサン-1,6-ジアミン · N，N，N’，N’テトラメチル1，6ヘキサメチレンジアミン
識別子と物理属性
| CAS No. | 111-18-2 |
|---|---|
| 分子式 | C10H24N2 |
| 平均分子量 | 172.31 g/mol |
| 単同位体質量 | 172.19394877 g/mol |
| SMILES | CN(C)CCCCCCN(C)C |
| InChIKey | TXXWBTOATXBWDR-UHFFFAOYSA-N |
| PubChem CID | 8097 |
| ChEMBL | CHEMBL118765 |
| EC No. | 203-842-9 |
| DTXSID | DTXSID5033701 |
| 現地名 | N,N,N',N'-テトラメチル-1,6-ジアミノヘキサン |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 極性表面積 | 6.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 7 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 77.8 |
| Physical Description | Liquid |
| 融点 | -46 °C |
| 沸点 | 209-210 °C(lit.) |
| 密度 | 0.806 g/mL at 25 °C(lit.) |
| 蒸気圧 | 12.4Pa at 20℃ |
| 屈折率 | n20/D 1.4359(lit.) |
| 引火点 | 165 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | 混和性 |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 10.07±0.28(Predicted) |
| 色 | 無色透明～黄色 |
| LogP（分配係数） | 1.99 at 23℃ |
| CAS データベース | 111-18-2(CAS DataBase Reference) |
| NISTの化学物質情報 | (CH3)2N(CH2)6N(CH3)2(111-18-2) |
| EPAの化学物質情報 | N,N,N',N'-Tetramethyl-1,6-hexanediamine (111-18-2) |
化学的特性
clear colorless to yellow liquid
安全性と法規制
| GHS 分類 | DangerH301+H311+H331 (23.9%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 264 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 1,6-Hexanediamine, N,N,N',N'-tetramethyl-1,6-Hexanediamine, N1,N1,N6,N6-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediamine, N1,N1,N6,N6-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/119201,6-Hexanediamine, N,N,N',N'-tetramethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 3 (88.3%)Flammable liquids - Category 4 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | MO1370000 |
| 輸送番号（UN） | UN 3390 6.1/PG 1 |
| 税関コード | 29212900 |
| 危険文句（R） | 22-24-34-23/24 |
| 化審法 | (2)-156 |
| 消防法 | 危-4-3-III |
| 危険表示 | T |
用途
用途
医薬?農薬中間体,ポリウレタン重合用触媒
使用
N,N,N'',N''-Tetramethyl-1,6-hexanediamine is used in the synthesis of fluorene containing poly(arylene ether sulfone) as anion exchange membranes for alkaline fuel cells.
製法・合成法
製造方法
N,N,N',N'-Tetramethyl-1,6-hexanediamine can be made from adipodinitrile and dimethylamine or from 1,6- hexanediamine and formaldehyde.