900784-91-0
1,2,3,4-TETRAHYDRO-2-TETRADECYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
Name1,2,3,4-TETRAHYDRO-2-TETRADECYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
FormulaC23 H39 N O2 . Br H
1Identification
【Name】
1,2,3,4-TETRAHYDRO-2-TETRADECYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
【CAS】
【MDL】
MFCD10698817
【English Synonyms】
【Formula】
C23 H39 N O2 . Br H
【MolWeight】
442.478
【Inchi】
InChI=1S/C23H39NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-16-14-20-17-22(25)23(26)18-21(20)19-24;/h17-18,25-26H,2-16,19H2,1H3;1H
【InChIKey】
InChIKey=IERHRKDMNVQASS-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCN1CCc2cc(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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-2-TETRADECYL-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE.cml