로린
로린 · loline · Festucine · (2R,3aβ,6aβ)-Hexahydro-N-methyl-2α,4α-methano-4H-furo[3,2-b]pyrrol-3α-amine · 2,4-Methano-4H-furo[3,2-b]pyrrol-3-amine, hexahydro-N-methyl-, (2R,3R,3aS,4S,6aS)-
식별자 및 물리적 특성
| CAS No. | 25161-91-5 |
|---|---|
| 분자식 | C8H14N2O |
| 평균 분자량 | 154.21 g/mol |
| 단동위원소 질량 | 154.11061307 g/mol |
| SMILES | CN[C@@H]1[C@H]2C3CCN2C[C@H]1O3 |
| InChIKey | OPMNROCQHKJDAQ-KTUCCBJNSA-N |
| PubChem CID | 107913 |
| DTXSID | DTXSID30948022 |
| 현지명 | 로린 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 24.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 185 |
| 끓는 점 | 103 °C(Press: 5 Torr) |
| 밀도 | 1.20±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 9.36±0.20(Predicted) |
용도
개요
This oily alkaloid has been obtained from a species of grass, Lotium cuneatum Nevski. It has a density of D 20 1.1343 and a refractive index of n20D 1.5505. It behaves as a diacidic base yielding a series of well crystalline salts and derivatives, e.g. the dihydrochloride, m.p. 256-7°C; [α]15D + 6.2° (H20); dihydrobromide, m.p. 254-5°C (dec.); [α]20D + 3.5° (c 4.29, H20); dihydriodide, m.p. 233-5°C (dec.); [α]34D + 5.0° (c 13.2 H20); perchlorate, m.p. 282°C with almost explosive decomposition; sulphate, yellow needles, m.p. 250-2°C (dec.); mononitrate,m.p. 208-2l0°C; dinitrate, m.p. l48-9°C; [α]38D + 6.18° (c 6.94, H20); dipicrate, m.p. 258-260°C (dec.); methiodide, m.p. 2l0-loC and the N-nitroso derivative, m.p. 64°C. The N-acetyl derivative yields a crystalline hydrochloride, m.p. 197-8°C; [α]20D + 36.9° (H20) and the N-methyl compound is obtained as a colourless oil, b.p. 90-l oC/2 mm; [α]31D+ 9.31° (c 9.5, MeOH). The alkaloid possesses an ether oxygen bridging the pyrrolizidine moiety.