化工社化工社 化学情報印刷レポート · 研究参考用
1-ジメチルアミノ-2-プロパノール
1-ジメチルアミノ-2-プロパノール · 2-(ジメチルアミノ)-1-メチルエタノール · 1-(ジメチルアミノ)-2-プロパノール · N,N-ジメチル-2-ヒドロキシプロパン-1-アミン · 3-(ジメチルアミノ)-2-プロパノール · 1-(ジメチルアミノ)プロパン-2-オール · ジメチル(2-ヒドロキシプロピル)アミン · N,N-ジメチルイソプロパノールアミン
識別子と物理属性
| CAS No. | 108-16-7 |
|---|---|
| 分子式 | C5H13NO |
| 平均分子量 | 103.16 g/mol |
| 単同位体質量 | 103.09971404 g/mol |
| SMILES | CC(O)CN(C)C |
| InChIKey | NCXUNZWLEYGQAH-UHFFFAOYSA-N |
| PubChem CID | 37511 |
| ChEMBL | CHEMBL3186209 |
| EC No. | 203-556-4 |
| DTXSID | DTXSID5031210 |
| 現地名 | 1-ジメチルアミノ-2-プロパノール |
化学・物理的性質
| XLogP | 0 |
|---|---|
| 極性表面積 | 23.5 |
| 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 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 45.3 |
| 物質分類 | Flammable agents - 3rd degree |
| 医薬品 | Pharmaceuticals |
| Physical Description | Liquid |
| 融点 | -85 °C |
| 沸点 | 96 °C |
| 密度 | 0.913 g/mL at 25 °C |
| 蒸気密度 | 3.6 (vs air) |
| 蒸気圧 | 8 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.42 |
| 引火点 | 96 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | Methanol (Soluble)混和性 |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 14.95±0.20(Predicted) |
| 色 | 無色透明～黄色 |
| pH | 11 (100g/l, H2O, 20℃) |
| 爆発限界 | 2.7-11.1%(V) |
| BRN | 1209244 |
| 安定性 | 安定。可燃性。強力な酸化剤、アミン、酸とは相容れない。 |
| 化粧品成分の機能 | バッファリング |
| InChI | 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3 |
| InChIKey | NCXUNZWLEYGQAH-UHFFFAOYSA-N |
| SMILES | CC(O)CN(C)C |
| LogP（分配係数） | -0.12 at 23℃ |
| CAS データベース | 108-16-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Propanol, 1-(dimethylamino)-(108-16-7) |
| EPAの化学物質情報 | 2-Propanol, 1-(dimethylamino)- (108-16-7) |
化学的特性
light yellow liquid
安全性と法規制
| GHS 分類 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 2-Propanol, 1-(dimethylamino)-2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- 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: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/120611-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquid - category 3Flammable agents - 3rd degree |
| F | 10-34 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UB3150000 |
| 輸送番号（UN） | UN 2734 8/PG 2 |
| 毒性 | LD50 orally in Rabbit: 1360 mg/kg |
| 税関コード | 29221980 |
| 危険文句（R） | 10-22-34 |
| 化審法 |
用途
使用
1-Dimethylamino-2-propanol is one of the compounds used to identify the illegal manufacture of methadone.cv
一般的な説明
1-Dimethylamino-2-propanol (1DMA2P, DMAPH), a tertiary amine, is a dimethylamino-alcohol having high boiling point. It is a potent protector against mechlorethamine cytotoxicity and inhibitor of choline uptake. Kinetics of homogeneous reaction of carbon dioxide (CO2) with 1-dimethylamino-2-propanol in water has been investigated using stopped-flow technique.