N,N,N',N'-テトラメチル-1,3-ジアミノプロパン
N,N,N',N'-テトラメチル-1,3-ジアミノプロパン · N,N,N',N'-テトラメチルプロパン-1,3-ジアミン · N,N,N',N'-テトラメチルトリメチレンジアミン · N,N,N',N'-テトラメチル-1,3-プロパンジアミン · 1,3-ビス(ジメチルアミノ)プロパン · トリメチレンビス(ジメチルアミン) · N,N'-(トリメチレン)ビス(ジメチルアミン) · ジメチル[3-(ジメチルアミノ)プロピル]アミン
識別子と物理属性
| CAS No. | 110-95-2 |
|---|---|
| 分子式 | C7H18N2 |
| 平均分子量 | 130.23 g/mol |
| 単同位体質量 | 130.14699858 g/mol |
| SMILES | CN(C)CCCN(C)C |
| InChIKey | DMQSHEKGGUOYJS-UHFFFAOYSA-N |
| PubChem CID | 8084 |
| ChEMBL | CHEMBL177250 |
| EC No. | 203-818-8 |
| DTXSID | DTXSID9047469 |
| 現地名 | N,N,N',N'-テトラメチル-1,3-ジアミノプロパン |
化学・物理的性質
| XLogP | 0.7 |
|---|---|
| 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 | 4 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 51 |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| 融点 | 28.9°C (estimate) |
| 沸点 | 145-146 °C(lit.) |
| 密度 | 0.779 g/mL at 25 °C(lit.) |
| 蒸気圧 | 760 mm Hg ( 145 °C) |
| 屈折率 | n20/D 1.4234(lit.) |
| 引火点 | 89 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| pKa（酸解離定数） | 9.88±0.28(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～薄黄色 |
| pH | 12.5 (100g/l, H2O, 20℃) |
| 爆発限界 | 2.9-22.5%(V) |
| BRN | 1734176 |
| 安定性 | 安定。可燃性。強力な酸化剤、酸、酸塩化物、過マンガン酸塩、二酸化炭素、硝酸塩、過酸化物、亜硝酸塩、ハロゲンとは相容れない。 |
| InChI | 1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3 |
| InChIKey | DMQSHEKGGUOYJS-UHFFFAOYSA-N |
| SMILES | CN(C)CCCN(C)C |
| LogP（分配係数） | 0.36 |
| CAS データベース | 110-95-2(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,3-Propanediamine, N,N,N',N'-tetramethyl-(110-95-2) |
| EPAの化学物質情報 | 1,3-Propanediamine, N,N,N',N'-tetramethyl- (110-95-2) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.6% (5 of 194) of reports.DangerH226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]H310 (11.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]H311 (28.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (57.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (58.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (11.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (57.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (57.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (57.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 194 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 194 reports by companies.There are 10 notifications provided by 189 of 194 reports by companies with hazard statement code(s).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: 1,3-Propanediamine, N,N,N',N'-tetramethyl-Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5408Status: Active Update: 08-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34000 |
用途
説明
Tetramethyl-1,3-diaminopropane can be made by methylation of 1,3-diaminopropane with formaldehyde or from dimethylaminopropionitrile and dimethylamine and is an intermediate for corrosion inhibitors, textile auxiliaries, flotation agents, and emulgators. It is also employed as a catalyst for polyurethanes and as a hardener for epoxy resins.
一般的な説明
N,N,N′,N′-Tetramethyl-1,3-propanediamine is an acyclic tertiary amine. It shows the ability to absorb CO2 when dissolved in aqueous solution. N,N,N′,N′-Tetramethyl-1,3-propanediamine (TMPDA) may be used: As a catalyst for the Baylis-Hillman reaction of cycloalkenones. In the preparation of homodimeric asymmetric monomethine cyanine dyes during the bisquaternization process. As a ligand (L) for the preparation of dinuclear μ-carbonato-dicopper(II) species.