7546-78-3
1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLE
Name1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLE
1Identification
【Name】
1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLE
【CAS】
【MDL】
MFCD11846948
【English Synonyms】
【Formula】
C12 H14 N2
【MolWeight】
186.257
【Inchi】
InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2
【InChIKey】
InChIKey=NGUNYFTXLWTSNC-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c3c([nH]2)CCNCC3
【MOL File】
1,2,3,4,5,6-HEXAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLE.cml