585518-82-7
1,4,5,6,7,8-HEXAHYDRO-3-[2-(1-PIPERIDINYL)ETHYL]-PYRAZOLO[3,4-B]AZEPINE
Name1,4,5,6,7,8-HEXAHYDRO-3-[2-(1-PIPERIDINYL)ETHYL]-PYRAZOLO[3,4-B]AZEPINE
1Identification
【Name】
1,4,5,6,7,8-HEXAHYDRO-3-[2-(1-PIPERIDINYL)ETHYL]-PYRAZOLO[3,4-B]AZEPINE
【CAS】
【MDL】
MFCD05207163
【English Synonyms】
【Formula】
C14 H24 N4
【MolWeight】
248.372
【Inchi】
InChI=1S/C14H24N4/c1-4-9-18(10-5-1)11-7-13-12-6-2-3-8-15-14(12)17-16-13/h1-11H2,(H2,15,16,17)
【InChIKey】
InChIKey=MHPRABLGGLJHJP-UHFFFAOYSA-N
【SMILES】
C1CCN(CC1)CCc2c3c([nH]n2)NCCCC3
【MOL File】
1,4,5,6,7,8-HEXAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6,7,8-HEXAHYDRO-3-[2-(1-PIPERIDINYL)ETHYL]-PYRAZOLO[3,4-B]AZEPINE.cml