964-56-7
8-(1-METHYL-4-PIPERIDYL)THEOPHYLLINE HYDROCHLORIDE
Name8-(1-METHYL-4-PIPERIDYL)THEOPHYLLINE HYDROCHLORIDE
FormulaC13 H19 N5 O2 . Cl H
1Identification
【Name】
8-(1-METHYL-4-PIPERIDYL)THEOPHYLLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01682207
【English Synonyms】
【Formula】
C13 H19 N5 O2 . Cl H
【MolWeight】
313.787
【Inchi】
InChI=1S/C13H19N5O2.ClH/c1-16-6-4-8(5-7-16)10-14-9-11(15-10)17(2)13(20)18(3)12(9)19;/h8H,4-7H2,1-3H3,(H,14,15);1H
【InChIKey】
InChIKey=HQIAWTXPQSYAPS-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)C3CCN(CC3)C.Cl
【MOL File】
8-(1-METHYL-4-PIPERI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(1-METHYL-4-PIPERIDYL)THEOPHYLLINE HYDROCHLORIDE.cml