69743-49-3
1-CYCLOHEXYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Name1-CYCLOHEXYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
FormulaC17 H25 N O2 . Cl H
1Identification
【Name】
1-CYCLOHEXYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD11505084
【English Synonyms】
【Formula】
C17 H25 N O2 . Cl H
【MolWeight】
311.85
【Inchi】
InChI=1S/C17H25NO2.ClH/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2;/h10-12,17-18H,3-9H2,1-2H3;1H
【InChIKey】
InChIKey=VTJVPEBSRDNXCM-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(NCC2)C3CCCCC3.Cl
【MOL File】
1-CYCLOHEXYL-6,7-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-CYCLOHEXYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE.cml