2366 oechem - 10051720503 d 22 22 0 0 0 0 0 0 0999 V2000型3.3152 0.0165 0.2841 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -1.1976 0.2219 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 0.0275 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 0.0318 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 0.0158 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 1.2182 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2692 -0.0251 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 1.1724 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -1.2025 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -0.0571 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 0.8952 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -0.8579 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 0.9246 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 -0.8426 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 -0.7993 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 2.1727 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 -0.9294 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 -0.0244 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 0.8540 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 2.0929 -0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 -2.1861 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 -0.1169 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 1 7 1 0 0 15 0 0 1 1 0 0 0 0 2 5 1 9 0 0 0 0 2 2 0 0 4 0 0 3 1 0 0 0 0 3 1 5 0 0 0 0 3 11 1 12 0 0 0 0 3 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 M >结束
DB06698 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UUQMNUMQCIQDMZ-UHFFFAOYSA-N/SDF?record_type = 3 d >
CNCCC1 = CC = CC = N1 >
InChI = 1 s / C8H12N2 / c1-9-7-5-8-4-2-3-6-10-8 / h2-4, 6, 9 h, 5、7 h2、h3 > 1
UUQMNUMQCIQDMZ-UHFFFAOYSA-N >
C8H12N2 >
136.1943 >
136.100048394 >
2 >
22日>
0.9990495844843749 >
15.847728326464626 >
1 >
1 >
0 >
0 >
甲基(2 - (pyridin-2-yl)乙基)胺>
0.59 >
0.6324068453333336 >
-0.44 >
0 >
1 >
1 >
1 >
9.769621036671913 >
24.92 >
41.326299999999996 >
3 >
1 >
4.93 e + 1 g / l >
四氢叶酸>
1 $ $ $ $