585518-96-3
1,4,5,6,7,8-HEXAHYDRO-3-(1-PIPERIDINYLMETHYL)-PYRAZOLO[3,4-B]AZEPINE
Name1,4,5,6,7,8-HEXAHYDRO-3-(1-PIPERIDINYLMETHYL)-PYRAZOLO[3,4-B]AZEPINE
1Identification
【Name】
1,4,5,6,7,8-HEXAHYDRO-3-(1-PIPERIDINYLMETHYL)-PYRAZOLO[3,4-B]AZEPINE
【CAS】
【MDL】
MFCD05207170
【English Synonyms】
【Formula】
C13 H22 N4
【MolWeight】
234.345
【Inchi】
InChI=1S/C13H22N4/c1-4-8-17(9-5-1)10-12-11-6-2-3-7-14-13(11)16-15-12/h1-10H2,(H2,14,15,16)
【InChIKey】
InChIKey=MSMHVZWTXUEADX-UHFFFAOYSA-N
【SMILES】
C1CCN(CC1)Cc2c3c([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
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6,7,8-HEXAHYDRO-3-(1-PIPERIDINYLMETHYL)-PYRAZOLO[3,4-B]AZEPINE.cml