化工社化工社 化学情報印刷レポート · 研究参考用
(3-アミノプロピル)ホスホン酸ジエチル
3-アミノプロピルホスホン酸ジエチル · (3-アミノプロピル)ホスホン酸ジエチル · ジエチル (3-アミノプロピル)ホスホナート · 3-diethoxyphosphorylpropylamine · 3-diethoxyphosphorylpropan-1-amine · diethyl (3-aminopropyl)phosphonate · Diethyl (3-aminopropyl)phosphonate 95 % · 3-Aminopropylphosphonic acid diethyl ester
識別子と物理属性
| CAS No. | 4402-24-8 |
|---|---|
| 分子式 | C7H18NO3P |
| 平均分子量 | 195.2 g/mol |
| 単同位体質量 | 195.10243043 g/mol |
| SMILES | CCOP(=O)(CCCN)OCC |
| InChIKey | DQORFBNFNLHVIM-UHFFFAOYSA-N |
| PubChem CID | 78113 |
| ChEMBL | CHEMBL158336 |
| EC No. | 224-535-6 |
| DTXSID | DTXSID80196016 |
| 現地名 | (3-アミノプロピル)ホスホン酸ジエチル |
化学・物理的性質
| XLogP | -0.4 |
|---|---|
| 極性表面積 | 61.6 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 7 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 142 |
| 沸点 | 114-116 °C(Press: 1.5 Torr) |
| 密度 | 1.053 |
| pKa（酸解離定数） | 9.67±0.10(Predicted) |
安全性と法規制
| GHS 分類 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 危険等級 | 8 |
用途
使用
Diethyl (3-aminopropyl)phosphonate is used in the preparation of tert-Butyl (2-((diethoxyphosphoryl)propyl)amino)-3,4-dioxocyclobut-1- en-1-yl)carbamate by reacting with tert-butyl (2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)carbamate.