5135-92-2
7-(2-HYDROXY-3-(1-PYRROLIDINYL)PROPYL)THEOPHYLLINE
Name7-(2-HYDROXY-3-(1-PYRROLIDINYL)PROPYL)THEOPHYLLINE
1Identification
【Name】
7-(2-HYDROXY-3-(1-PYRROLIDINYL)PROPYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD01239312
【English Synonyms】
【Formula】
C14 H21 N5 O3
【MolWeight】
307.352
【Inchi】
InChI=1S/C14H21N5O3/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-5-3-4-6-18/h9-10,20H,3-8H2,1-2H3
【InChIKey】
InChIKey=RYLZSSCIDKBMID-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN3CCCC3)O
【MOL File】
7-(2-HYDROXY-3-(1-PY….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-(2-HYDROXY-3-(1-PYRROLIDINYL)PROPYL)THEOPHYLLINE.cml