78280-45-2
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
Name7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
FormulaC18 H23 N5 O2 . Cl H
1Identification
【Name】
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01682234
【English Synonyms】
【Formula】
C18 H23 N5 O2 . Cl H
【MolWeight】
377.874
【Inchi】
InChI=1S/C18H23N5O2.ClH/c1-13(2)23(14-8-6-5-7-9-14)11-10-22-12-19-16-15(22)17(24)21(4)18(25)20(16)3;/h5-9,12-13H,10-11H2,1-4H3;1H
【InChIKey】
InChIKey=KSELVJGCKFXDMF-UHFFFAOYSA-N
【SMILES】
CC(C)N(CCn1cnc2c1c(=O)n(c(=O)n2C)C)c3ccccc3.Cl
【MOL File】
7-(2-(ISOPROPYL-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-(ISOPROPYL-PHENYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE.cml