102259-64-3
7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)-6-NITROQUINOLINE DIPHOSPHATE
Name7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)-6-NITROQUINOLINE DIPHOSPHATE
FormulaC18 H25 Cl N4 O2 . 2 H3 O4 P
1Identification
【Name】
7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)-6-NITROQUINOLINE DIPHOSPHATE
【CAS】
【MDL】
MFCD01685604
【English Synonyms】
【Formula】
C18 H25 Cl N4 O2 . 2 H3 O4 P
【MolWeight】
560.862
【Inchi】
InChI=1S/C18H25ClN4O2.2H3O4P/c1-4-22(5-2)10-6-7-13(3)21-16-8-9-20-17-12-15(19)18(23(24)25)11-14(16)17;2*1-5(2,3)4/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
【InChIKey】
InChIKey=ZBLIDANAGIEDIO-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCCC(C)Nc1ccnc2c1cc(c(c2)Cl)[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O
【MOL File】
7-CHLORO-4-((4-(DIET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)-6-NITROQUINOLINE DIPHOSPHATE.cml