900784-96-5
1,2,3,4-TETRAHYDRO-2-OCTYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
Name1,2,3,4-TETRAHYDRO-2-OCTYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
FormulaC17 H27 N O2 . Br H
1Identification
【Name】
1,2,3,4-TETRAHYDRO-2-OCTYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
【CAS】
【MDL】
MFCD10698819
【English Synonyms】
【Formula】
C17 H27 N O2 . Br H
【MolWeight】
358.317
【Inchi】
InChI=1S/C17H27NO2.BrH/c1-2-3-4-5-6-7-9-18-10-8-14-11-16(19)17(20)12-15(14)13-18;/h11-12,19-20H,2-10,13H2,1H3;1H
【InChIKey】
InChIKey=AEXYCPNVKMBZJU-UHFFFAOYSA-N
【SMILES】
CCCCCCCCN1CCc2cc(c(cc2C1)O)O.Br
【MOL File】
1,2,3,4-TETRAHYDRO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-2-OCTYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE.cml