53499-66-4
7-BETA-PIPERAZINOETHYLTHEOPHYLLINE DIHYDROCHLORIDE
Name7-BETA-PIPERAZINOETHYLTHEOPHYLLINE DIHYDROCHLORIDE
FormulaC13 H20 N6 O2 . 2 Cl H
1Identification
【Name】
7-BETA-PIPERAZINOETHYLTHEOPHYLLINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01694296
【English Synonyms】
【Formula】
C13 H20 N6 O2 . 2 Cl H
【MolWeight】
365.263
【Inchi】
InChI=1S/C13H20N6O2.2ClH/c1-16-11-10(12(20)17(2)13(16)21)19(9-15-11)8-7-18-5-3-14-4-6-18;;/h9,14H,3-8H2,1-2H3;2*1H
【InChIKey】
InChIKey=GFEUKNCQYTZCBX-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN3CCNCC3.Cl.Cl
【MOL File】
7-BETA-PIPERAZINOETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-BETA-PIPERAZINOETHYLTHEOPHYLLINE DIHYDROCHLORIDE.cml