585520-34-9
1,4,5,6,7,8-HEXAHYDRO-3-(1-METHYL-4-PIPERIDINYL)-PYRAZOLO[3,4-B]AZEPINE
Name
1,4,5,6,7,8-HEXAHYDRO-3-(1-METHYL-4-PIPERIDINYL)-PYRAZOLO[3,4-B]AZEPINE
Formula
C13 H22 N4
MolWeight
234.345
1Identification
【Name】
1,4,5,6,7,8-HEXAHYDRO-3-(1-METHYL-4-PIPERIDINYL)-PYRAZOLO[3,4-B]AZEPINE
【CAS】
【MDL】
MFCD05207220
【English Synonyms】
【Formula】
C13 H22 N4
【MolWeight】
234.345
【Inchi】
InChI=1S/C13H22N4/c1-17-8-5-10(6-9-17)12-11-4-2-3-7-14-13(11)16-15-12/h10H,2-9H2,1H3,(H2,14,15,16)
【InChIKey】
InChIKey=QBTKVTGSQVOKGX-UHFFFAOYSA-N
【SMILES】
CN1CCC(CC1)c2c3c([nH]n2)NCCCC3
【MOL File】
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-(1-METHYL-4-PIPERIDINYL)-PYRAZOLO[3,4-B]AZEPINE.cml
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