Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디에틸(3-아미노프로필)포스포네이트
디에틸(3-아미노프로필)포스포네이트 · 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
식별자 및 물리적 특성
| CAS No. | 4402-24-8 |
|---|---|
| 분자식 | C7H18NO3P |
| 평균 분자량 | 195.2 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 디에틸(3-아미노프로필)포스포네이트 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 61.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 142 |
| 끓는 점 | 114-116 °C(Press: 1.5 Torr) |
| 밀도 | 1.053 |
| pKa(산도 계수) | 9.67±0.10(Predicted) |
안전 및 규제
| GHS 분류 | 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%) |
| 위험 등급 | 8 |
용도
용도
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.