InChIKey | FQEQMASDZFXSJI-YNEHKIRRSA-N |
Inchi | 1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13+/m0/s1 |
SMILES | O=C1C([H])=C([H])C([H])=C2[C@]3([H])C([H])([H])N4C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]4([H])[C@@]([H])(C([H])([H])N21)C3([H])[H] |
LogP | 1.75780 |
PSA | 25.24000 |
折射率 | 1.628 |
沸点 | 455.6°Cat760mmHg |
熔点 | 205-206 ºC |
闪点 | 216.3°C |
颜色与性状 | Cryst. |
密度 | 1.22 |
精确分子量 | 244.15800 |
氢键供体数量 | 0 |
氢键受体数量 | 2 |
可旋转化学键数量 | 0 |
同位素质量 | 244.158 |
重原子数量 | 18 |
复杂度 | 440 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 3 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 1.6 |
拓扑分子极性表面积 | 23.6 |
分子量 | 244.33 |
1.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 2008 25 139
2.
Indolizidine and quinolizidine alkaloids
J. P. Michael Nat. Prod. Rep. 1994 11 17
3.
Indolizidine and quinolizidine alkaloids
J. P. Michael Nat. Prod. Rep. 1990 7 485
4.
Indolizidine and quinolizidine alkaloids
J. P. Michael Nat. Prod. Rep. 1994 11 639
5.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 1997 14 21
6.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 1998 15 571
7.
Indolizidine and quinolizidine alkaloids
J. P. Michael Nat. Prod. Rep. 1993 10 51
8.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 2002 19 719
9.
Organic chemistry
G. Baddeley,T. G. Halsall,M. J. S. Dewar,H. B. Henbest,A. R. Battersby,L. Crombie,R. F. Garwood,P. Bladon,W. Wilson,G. F. Smith,J. Honeyman,D. C. C. Smith Annu. Rep. Prog. Chem. 1956 53 126
10.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 1997 14 619