864448-34-0
3-(4-FLUOROBENZYL)-7-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
Name3-(4-FLUOROBENZYL)-7-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
1Identification
【Name】
3-(4-FLUOROBENZYL)-7-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE
【CAS】
【MDL】
MFCD14582712
【English Synonyms】
【Formula】
C14 H20 F N3
【MolWeight】
249.331
【Inchi】
InChI=1S/C14H20FN3/c1-17-7-13-9-18(10-14(8-17)16-13)6-11-2-4-12(15)5-3-11/h2-5,13-14,16H,6-10H2,1H3/t13-,14+
【InChIKey】
InChIKey=MUUXKBIBWGTKRX-OKILXGFUSA-N
【SMILES】
CN1C[C@@H]2CN(C[C@H](C1)N2)Cc3ccc(cc3)F
【MOL File】
3-(4-FLUOROBENZYL)-7….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
3-(4-FLUOROBENZYL)-7-METHYL-3,7,9-TRIAZA-BICYCLO[3.3.1]NONANE.cml