5096-27-5
7-(3-(DIALLYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
Name7-(3-(DIALLYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
1Identification
【Name】
7-(3-(DIALLYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD01313998
【English Synonyms】
【Formula】
C16 H23 N5 O3
【MolWeight】
333.39
【Inchi】
InChI=1S/C16H23N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h5-6,11-12,22H,1-2,7-10H2,3-4H3
【InChIKey】
InChIKey=YFKGNQQSCJXSDJ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(CC=C)CC=C)O
【MOL File】
7-(3-(DIALLYLAMINO)-….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-(3-(DIALLYLAMINO)-2-HYDROXYPROPYL)THEOPHYLLINE.cml