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N,N,N',N'-テトラメチルジアミノメタン
N,N,N',N'-テトラメチルジアミノメタン · N,N-ジメチル(ジメチルアミノメチル)アミン · ジメチル[(ジメチルアミノ)メチル]アミン · N,N,N',N'-テトラメチルメタンジアミン · ビス(ジメチルアミノ)メタン · N,N'-メチレンビス(ジメチルアミン) · メチレンビス(ジメチルアミン) · N,N,N′,N′-テトラメチルジアミノメタン
識別子と物理属性
| CAS No. | 51-80-9 |
|---|---|
| 分子式 | C5H14N2 |
| 平均分子量 | 102.18 g/mol |
| 単同位体質量 | 102.11569845 g/mol |
| SMILES | CN(C)CN(C)C |
| InChIKey | VGIVLIHKENZQHQ-UHFFFAOYSA-N |
| PubChem CID | 5829 |
| EC No. | 200-124-7 |
| DTXSID | DTXSID1058761 |
| 現地名 | N,N,N',N'-テトラメチルジアミノメタン |
化学・物理的性質
| XLogP | 0.4 |
|---|---|
| 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 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 35.3 |
| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Tetramethylmethylenediamine appears as a solid or solution. Moderately toxic by ingestion and may irritate skin and eyes. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment.LiquidColorless liquid[Alfa Aesar MSDS] |
| 融点 | -55°C |
| 沸点 | 85 °C(lit.) |
| 密度 | 0.749 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.401(lit.) |
| 引火点 | 9 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | sol H2O, ether水に完全に混和します。 |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 7.67±0.10(Predicted) |
| 色 | 無色透明 |
| BRN | 1731946 |
| 安定性 | 安定しているが引火性が高い。酸、酸塩化物、酸無水物、強力な酸化剤、二酸化炭素とは混和しません。 |
| InChI | 1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3 |
| InChIKey | VGIVLIHKENZQHQ-UHFFFAOYSA-N |
| SMILES | CN(C)CN(C)C |
| CAS データベース | 51-80-9(CAS DataBase Reference) |
| EPAの化学物質情報 | Methanediamine, N,N,N',N'-tetramethyl- (51-80-9) |
化学的特性
slightly yellow liquid
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Methanediamine, N,N,N',N'-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanediamine, N,N,N',N'-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: 29-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11331 |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 健康有害性 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 有害性の概要 | Intraperitoneal LD50 (mouse) = 220 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | TETRAMETHYLMETHYLENEDIAMINE may react vigorously when exposed to oxidizing agents. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. Not easily ignited, but may burn when exposed to heat. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| CSL Reaction Information | CSL00136TERT-BUTYLLITHIUM + N,N,N',N'-TETRAMETHYLDIAMINOMETHANEPotential Explosion Hazard Of -Lithiated AminesExplosiveM (up to 100g)5.6 g of isolated lithiated bis(dimethylamino)-methane cause explosion when drying in vacuo |
| 消火 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 応急処置 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 有害作用 | Dermatotoxin - Skin burns. |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | PA6700000 |
| 輸送番号（UN） | UN 2733 3/PG 2 |
| 税関コード | 29212900 |
| 危険文句（R） | 11-34 |
| 消防法 | 危-4-1-II |
| 危険表示 | F,C |
| 安全措置（S） | 16-26-36/37/39-45 |
| 危険等級 | 3Flam. Liq. 2Skin Corr. 1B |
| 包装等級 | II |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
N,N,N',N'-Tetramethylmethylenediamine is a reagent used as a convenient source of the Mannich intermediate.
製法・合成法
純化方法
N,N,N',N'-TETRAMETHYLDIAMINOMETHANE is dried over potassium hydroxide pellets and distilled.