3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
化学名:3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
CAS番号.211915-84-3
英語名:3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
CBNumberCB72500635
MFC27H26N6O3
MW482.53
MOL File211915-84-3.mol
3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester物理性質
融点 | 149-151°C |
沸点 | 756.4±60.0 °C(Predicted) |
比重(密度) | 1.25±0.1 g/cm3(Predicted) |
貯蔵温度 | Keep in dark place,Inert atmosphere,Room temperature |
溶解性 | DMSO (わずかに、超音波処理)、メタノール (ごくわずかに、超音波処理) |
酸解離定数(Pka) | 4.21±0.10(Predicted) |
外見 | 個体 |
色 | ホワイト~ペールベージュ |
InChIKey | OZBOESGNDSVMDK-UHFFFAOYSA-N |
SMILES | C(OCC)(=O)CCN(C(C1=CC=C2N(C)C(CNC3=CC=C(C#N)C=C3)=NC2=C1)=O)C1=NC=CC=C1 |