70539-77-4
(4AR,9BS)-REL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO[4,3-B]INDOLE
Name(4AR,9BS)-REL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO[4,3-B]INDOLE
1Identification
【Name】
(4AR,9BS)-REL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO[4,3-B]INDOLE
【CAS】
【MDL】
MFCD13184138
【English Synonyms】
【Formula】
C11 H14 N2
【MolWeight】
174.246
【Inchi】
InChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,9,11-13H,5-7H2/t9-,11-/m1/s1
【InChIKey】
InChIKey=BPPMRCNUQCVVFJ-MWLCHTKSSA-N
【SMILES】
c1ccc2c(c1)[C@H]3CNCC[C@H]3N2
【MOL File】
(4AR,9BS)-REL-2,3,4,….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
(4AR,9BS)-REL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO[4,3-B]INDOLE.cml