化工社化工社 化学情報印刷レポート · 研究参考用
N,N-ジエチルエチレンジアミン
N,N-ジエチルエチレンジアミン · 2-(ジエチルアミノ)エタンアミン · N,N-ジエチル-1,2-エタンジアミン · 2-(ジエチルアミノ)エチルアミン · N,N-ジエチルエタン-1,2-ジアミン · 2-ジエチルアミノエチルアミン · ジエチルアミノエチルアミン · N,N‐ジエチルエチレンジアミン

識別子と物理属性
| CAS No. | 100-36-7 |
|---|---|
| 分子式 | C6H16N2 |
| 平均分子量 | 116.2 g/mol |
| 単同位体質量 | 116.13134852 g/mol |
| SMILES | CCN(CC)CCN |
| InChIKey | UDGSVBYJWHOHNN-UHFFFAOYSA-N |
| PubChem CID | 60993 |
| ChEMBL | CHEMBL52701 |
| EC No. | 202-844-7 |
| DTXSID | DTXSID7057606 |
| 現地名 | N,N-ジエチルエチレンジアミン |
化学・物理的性質
| XLogP | 0.2 |
|---|---|
| 極性表面積 | 29.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 4 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 41 |
| 蒸気圧 | 2.97 [mmHg]5.33hPa at 20℃ |
| Physical Description | LiquidColorless liquid[Alfa Aesar MSDS] |
| 融点 | <-70°C |
| 沸点 | 145-147 °C(lit.) |
| 密度 | 0.827 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.436(lit.) |
| 引火点 | 87 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | soluble in Methanol, Water混和性 |
| 外観・状態 | 液体 |
| pKa(酸解離定数) | pK1:7.70(+2)pK2:10.46(+1) (25°C) |
| 色 | 無色透明~薄黄色 |
| 爆発限界 | 0.7-8.4%(V) |
| BRN | 605299 |
| InChI | 1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3 |
| InChIKey | PQZTVWVYCLIIJY-UHFFFAOYSA-N |
| SMILES | CCN(CC)CCN |
| LogP(分配係数) | 0.1 at 25℃ |
| CAS データベース | 100-36-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,2-Ethanediamine, N,N-diethyl-(100-36-7) |
| EPAの化学物質情報 | N,N-Diethylethylenediamine (100-36-7) |
化学的特性
CLEAR COLORLESS TO LIGHT YELLOW LIQUID
安全性と法規制
| GHS 分類 | DangerH226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (96.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (70.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (26.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: 1,2-Ethanediamine, N,N-diethyl-1,2-Ethanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1,N1-diethyl- 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: 18-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/117132-Aminoethyldiethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | · Flammable/combustible material.· May be ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers. |
用途
用途
医薬品原料、界面活性剤
使用
N,N-Diethylethylenediamine is used in the syntheses of anti-malarials. In addition, it has been seem to induce apoptosis through a caspase-3 dependent pathway.