106163-62-6
N-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE
NameN-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE
1Identification
【Name】
N-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE
【CAS】
【MDL】
MFCD01694458
【English Synonyms】
【Formula】
C13 H19 N5 O5
【MolWeight】
325.323
【Inchi】
InChI=1S/C13H19N5O5/c1-16(5-7(20)6-19)9(21)4-8-14-10-11(15-8)17(2)13(23)18(3)12(10)22/h7,19-20H,4-6H2,1-3H3,(H,14,15)
【InChIKey】
InChIKey=NIVKQBLZRGGTBG-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CC(=O)N(C)CC(CO)O
【MOL File】
N-METHYL-N-BETA,GAMM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYL-N-BETA,GAMMA-DIHYDROXYPROPYL THEOPHYLLINYL-8-ACETAMIDE.cml