102071-21-6
4-(DIPHENYLMETHOXY)-1-METHYLPIPERIDINE BROMOTHEOPHYLLINE
Name4-(DIPHENYLMETHOXY)-1-METHYLPIPERIDINE BROMOTHEOPHYLLINE
FormulaC19 H23 N O . C7 H7 Br N4 O2
1Identification
【Name】
4-(DIPHENYLMETHOXY)-1-METHYLPIPERIDINE BROMOTHEOPHYLLINE
【CAS】
【MDL】
MFCD01700752
【English Synonyms】
【Formula】
C19 H23 N O . C7 H7 Br N4 O2
【MolWeight】
540.459
【Inchi】
InChI=1S/C19H23NO.C7H7BrN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)
【InChIKey】
InChIKey=ZVXNYTIIVKQCSH-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Br.CN1CCC(CC1)OC(c2ccccc2)c3ccccc3
【MOL File】
4-(DIPHENYLMETHOXY)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(DIPHENYLMETHOXY)-1-METHYLPIPERIDINE BROMOTHEOPHYLLINE.cml