864448-37-3
9-(4-FLUOROBENZYL)-3-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
Name9-(4-FLUOROBENZYL)-3-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
1Identification
【Name】
9-(4-FLUOROBENZYL)-3-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
【CAS】
【MDL】
MFCD14582711
【English Synonyms】
【Formula】
C14 H20 F N3
【MolWeight】
249.331
【Inchi】
InChI=1S/C14H20FN3/c1-17-9-13-6-16-7-14(10-17)18(13)8-11-2-4-12(15)5-3-11/h2-5,13-14,16H,6-10H2,1H3/t13-,14+
【InChIKey】
InChIKey=OWTOKSYWENOQHK-OKILXGFUSA-N
【SMILES】
CN1C[C@@H]2CNC[C@H](C1)N2Cc3ccc(cc3)F
【MOL File】
9-(4-FLUOROBENZYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-(4-FLUOROBENZYL)-3-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE.cml