2,2,5,5-사메틸-3-피롤리딘 카르복스 아마이드
2,2,5,5-사메틸-3-피롤리딘카르복스아마이드 · 2,2,5,5-테트라메틸-3-피르롤리딘카복사민 · 2,2,5,5-테트라메틸-3-피롤리딘카복사미드 · 2,2,5,5-Tetramethyl-3-prolinamide · 3-CarbaMoyl-2,2,5,5-tetraMethylpyrrolidine · 2,2,5,5-tetramethyl-3-pyrrolidinecarboxamid · 2,2,5,5-TETRAMETHYLPYRROLIDINE-3-CARBOXAMIDE · 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-
식별자 및 물리적 특성
| CAS No. | 702-96-5 |
|---|---|
| 분자식 | C9H18N2O |
| 평균 분자량 | 170.25 g/mol |
| 단동위원소 질량 | 170.1419132 g/mol |
| SMILES | CC1(C)CC(C(N)=O)C(C)(C)N1 |
| InChIKey | POAGFQOGFRYOFM-UHFFFAOYSA-N |
| PubChem CID | 69708 |
| EC No. | 211-871-3 |
| DTXSID | DTXSID40883556 |
| 현지명 | 2,2,5,5-사메틸-3-피롤리딘 카르복스 아마이드 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 55.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 209 |
| 녹는점 | 128-131 °C (lit.) |
| 끓는 점 | 299.91°C (rough estimate) |
| 밀도 | 1.0114 (rough estimate) |
| 굴절률 | 1.4790 (estimate) |
| 용해도 | soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| pKa(산도 계수) | 16.52±0.60(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 회백색 |
| InChI | 1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12) |
| InChIKey | POAGFQOGFRYOFM-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(C(N)=O)C(C)(C)N1 |
| EPA | 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl- (702-96-5) |
화학적 성질
Off-White Solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (cas# 702-96-5) is a compound useful in organic synthesis.
일반 설명
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (2,2,5,5-Tetramethylpyrrolidine-3-carboxamide) is a carboxamide of hydrogenated pyrrole derivative. Its synthesis by the hydrogenation of 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide has been reported. The antiarrhythmic activity of some of the derivatives of 2,2,5,5-tetramethylpyrrolidine-3-carboxamide has been evaluated.