51720-08-2
2-PROPEN-1-ONE, 3-(DIETHYLAMINO)-3-PHENYL-1-(5-PHENYL-1,2,3-TRIAZOL-4-YL)-
Name2-PROPEN-1-ONE, 3-(DIETHYLAMINO)-3-PHENYL-1-(5-PHENYL-1,2,3-TRIAZOL-4-YL)-
1Identification
【Name】
2-PROPEN-1-ONE, 3-(DIETHYLAMINO)-3-PHENYL-1-(5-PHENYL-1,2,3-TRIAZOL-4-YL)-
【CAS】
【MDL】
MFCD17010121
【English Synonyms】
【Formula】
C21 H22 N4 O
【MolWeight】
346.432
【Inchi】
InChI=1S/C21H22N4O/c1-3-25(4-2)18(16-11-7-5-8-12-16)15-19(26)21-20(22-24-23-21)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3,(H,22,23,24)/b18-15-
【InChIKey】
InChIKey=PSCGRSCGPZYZJW-SDXDJHTJSA-N
【SMILES】
CCN(CC)/C(=C\C(=O)c1c([nH]nn1)c2ccccc2)/c3ccccc3
【MOL File】
2-PROPEN-1-ONE, 3-(D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-PROPEN-1-ONE, 3-(DIETHYLAMINO)-3-PHENYL-1-(5-PHENYL-1,2,3-TRIAZOL-4-YL)-.cml