30356-07-1
1,2,3,4,5,6,7,8-OCTAHYDRO-1-[(4-METHOXYPHENYL)METHYL]ISOQUINOLINE
Name1,2,3,4,5,6,7,8-OCTAHYDRO-1-[(4-METHOXYPHENYL)METHYL]ISOQUINOLINE
1Identification
【Name】
1,2,3,4,5,6,7,8-OCTAHYDRO-1-[(4-METHOXYPHENYL)METHYL]ISOQUINOLINE
【CAS】
【MDL】
MFCD09833511
【English Synonyms】
【Formula】
C17 H23 N O
【MolWeight】
257.375
【Inchi】
InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3
【InChIKey】
InChIKey=NPEVCJZMQGZNET-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)CC2C3=C(CCCC3)CCN2
【MOL File】
1,2,3,4,5,6,7,8-OCTA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4,5,6,7,8-OCTAHYDRO-1-[(4-METHOXYPHENYL)METHYL]ISOQUINOLINE.cml