HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethyl (3-aminopropyl)phosphonate
3-diethoxyphosphorylpropylamine · 3-diethoxyphosphorylpropan-1-amine · diethyl (3-aminopropyl)phosphonate · Diethyl (3-aminopropyl)phosphonate 95 % · 3-Aminopropylphosphonic acid diethyl ester · (3-Aminopropyl)phosphonic acid diethyl ester · Phosphonic acid, P-(3-aminopropyl)-, diethyl ester
Identifiers & Physical Properties
| CAS No. | 4402-24-8 |
|---|---|
| Molecular formula | C7H18NO3P |
| Average molar mass | 195.2 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 61.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 142 |
| Boiling point | 114-116 °C(Press: 1.5 Torr) |
| Density | 1.053 |
| pKa (acidity coefficient) | 9.67±0.10(Predicted) |
| Sensitivity | Air Sensitive |
| GHS pictogram | GHS05 |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P280-P305+P351+P338-P309-P310 |
| Hazard class | 8 |
Safety & Regulations
| GHS classification | 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%) |
| GHS pictogram | GHS05 |
| Hazard class | 8 |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P280-P305+P351+P338-P309-P310 |
Applications & Uses
Uses
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.