2-(2-Aminoethyl)-1-methylpyrrolidine
2-(1-methylpyrrolidin-2-yl)ethan-1-amine · 2-(2-Aminoethyl)-1-methyl · 2-(2-Aminoethyl)-1-methylpy · N-Methyl-2-(2-aMinoethyl)pyr · 1-Methyl-2-Pyrrolidineethanamine · 1-methylpyrrolidine-2-ethylamine · 2-AMinoethyl-1-Methylpyrrolidine · N-Methyl-2-Pyrrolidineethanamine
식별자 및 물리적 특성
| CAS No. | 51387-90-7 |
|---|---|
| 분자식 | C7H16N2 |
| 평균 분자량 | 128.22 g/mol |
| 단동위원소 질량 | 128.13134851 g/mol |
| SMILES | CN1CCCC1CCN |
| InChIKey | PNHGJPJOMCXSKN-UHFFFAOYSA-N |
| PubChem CID | 98388 |
| ChEBI | CHEBI:234484 |
| EC No. | 257-169-0 |
| DTXSID | DTXSID401291397 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 29.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 83 |
| 끓는 점 | 152.7±8.0 °C(Predicted) |
| 밀도 | 0.885 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.4684(lit.) |
| 인화점 | 149 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 10.34±0.40(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 라이트 베이지부터 라이트 브라운까지 |
| InChI | InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3 |
| InChIKey | PNHGJPJOMCXSKN-UHFFFAOYSA-N |
| SMILES | N1(C)CCCC1CCN |
화학적 성질
Clear colorless to pale yellow liquid
안전 및 규제
| GHS 분류 | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| 수질 위해 등급(WGK) | 2 |
| 운송 번호(UN) | 2735 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-37/38-41 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-39 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-(2-Aminoethyl)-1-methylpyrrolidine is used as an electrochemiluminescence probe within microfluidic chip for ECL detection. 2-(2-Aminoethyl)-1-methylpyrrolidine is also used in chemical microarrays to identify ligands that bind pathogenic cells.
일반 설명
2-(2-Aminoethyl)-1-methylpyrrolidine labelling acts as probe within microfluidic chip for electrochemiluminescence detection. It acts as electrogenerated chemiluminescence derivatization reagent for carboxylic acid in HPLC.