トリアリルアミン
トリアリルアミン · 1,1',1''-ニトリロトリ(2-プロペン) · トリ-2-プロペニルアミン · 第三級アミン · TAA · Trialkylamine · N,N-Diallyl-2-propen-1-amine · 2-Propen-1-amine, N,N-di-2-propen-1-yl-

識別子と物理属性
| CAS No. | 102-70-5 |
|---|---|
| 分子式 | C9H15N |
| 平均分子量 | 137.22 g/mol |
| 単同位体質量 | 137.12044948 g/mol |
| SMILES | C=CCN(CC=C)CC=C |
| InChIKey | VPYJNCGUESNPMV-UHFFFAOYSA-N |
| PubChem CID | 7617 |
| ChEMBL | CHEMBL3188834 |
| ChEBI | CHEBI:192451 |
| EC No. | 203-048-2 |
| DTXSID | DTXSID5026174 |
| 現地名 | トリアリルアミン |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 3.2 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 6 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 92.1 |
| 物質分類 | Nitrogen Compounds -> Amines, AliphaticFlammable agents - 2nd degree |
| SpringerMaterials Properties | Optical coefficient |
| LogP(分配係数) | log Kow= 2.59 |
| 臭い | Ammonia-like |
| 密度 | 0.809 at 68 °F (NTP, 1992) - Less dense than waterwill float0.809 @ 20 °C0.79 g/mL at 25 °C (lit.) |
| Viscosity | 2.7783X10-3 Pa.s @ 200.00 K |
| Color/Form | LiquidDark brown liquid |
| 溶解度 | 2.5 mg/mL (NTP, 1992)Soluble in ethanol, ethyl ether, acetone, and benzeneIn water, 2,500 mg/l @ 25 °C250g/100mL |
| 引火点 | 103 °F (NTP, 1992)103 °F OC.87 °F |
| 沸点 | 311 to 313 °F at 760 mmHg (NTP, 1992)155.5 °C150-151 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 融点 | -94 °F (NTP, 1992)less than -70 °C-70°C |
| 蒸気密度 | 4.73 (vs air) |
| 蒸気圧 | 90 mm Hg ( 80 °C) |
| 屈折率 | n20/D 1.451(lit.) |
| 貯蔵条件 | 2-8°C |
| pKa(酸解離定数) | pK1:8.31(+1) (25°C) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Yellow to Orange |
| ヘンリー定数 | 3.9×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2 |
| InChIKey | VPYJNCGUESNPMV-UHFFFAOYSA-N |
| SMILES | C=CCN(CC=C)CC=C |
| CAS データベース | 102-70-5(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Propen-1-amine, N,N-di-2-propenyl-(102-70-5) |
| EPAの化学物質情報 | Triallylamine (102-70-5) |
化学的特性
Triallylamine is a flammble liquid. Triallylamine can be detected at 0.5 ppm and is severely irritating at 75 ppm.
安全性と法規制
| GHS 分類 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 2-Propen-1-amine, N,N-di-2-propenyl-2-Propen-1-amine, N,N-di-2-propen-1-yl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-amine, N,N-di-2-propen-1-yl- 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: 14-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/223092-Propen-1-amine, N,N-di-2-propenyl-: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル(DOT) | Flammable Liquid Corrosive |
| 火災危険 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· Flammable/combustible material. |
| 火災の可能性 | MODERATE FIRE RISK...DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME.Flammable liquid when exposed to heat, flame, or oxidizers. |
| 健康有害性 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· May cause toxic effects if inhaled or ingested. |
| 有害性の概要 | Subjects recognize an offensive odor at about 0.5 ppm and have more severe symptoms of coughing and nausea at 75-100 ppm. In animal studies, it can cause pneumonitis and liver/kidney injury after heavy inhalation exposures. Death occurs after repeated exposures to 100-200 ppm. [HSDB] Corrosive to the skin, respiratory tract, and eyes |
用途
解説
アンモニアの水素原子が3個とも炭化水素基(アルキル,フェニルなど)で置換された有機化合物.一般式R3N.この形のN原子が環の中に取り込まれた第三級アミンもある.また,ピリジンのように環内のN原子が,一方はN-C,他方はN=Cの形で結合した複素環式化合物も一種の第三級アミンとしての性質をもつ.
用途
防錆剤、イオン交換樹脂原料
使用
Triallylamine is used in organic synthesis.Triallylamine has been proposed as a catalyst for the production of polyesters and as an initiator for the polymerization of butadiene.
一般的な説明
A colorless liquid with a fishlike odor. Density 0.800 g / cm3 and insoluble in water. Hence floats on water. Flash point 103°F. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.
製法・合成法
調製方法
Triallylamine is manufactured using allyl chloride and ammonia under heat and pressure. It is used as a solvent and in organic syntheses.