5416-77-3
9-(2-(DIAMYLAMINO)-1-HYDROXYETHYL)-1,2,3,4-TETRAHYDROPHENANTHRENE HYDROCHLORIDE
Name9-(2-(DIAMYLAMINO)-1-HYDROXYETHYL)-1,2,3,4-TETRAHYDROPHENANTHRENE HYDROCHLORIDE
FormulaC26 H39 N O . Cl H
1Identification
【Name】
9-(2-(DIAMYLAMINO)-1-HYDROXYETHYL)-1,2,3,4-TETRAHYDROPHENANTHRENE HYDROCHLORIDE
【CAS】
【MDL】
MFCD03939841
【English Synonyms】
【Formula】
C26 H39 N O . Cl H
【MolWeight】
418.061
【Inchi】
InChI=1S/C26H39NO.ClH/c1-3-5-11-17-27(18-12-6-4-2)20-26(28)25-19-21-13-7-8-14-22(21)23-15-9-10-16-24(23)25;/h9-10,15-16,19,26,28H,3-8,11-14,17-18,20H2,1-2H3;1H
【InChIKey】
InChIKey=VVKWWYCDQUVEIJ-UHFFFAOYSA-N
【SMILES】
CCCCCN(CCCCC)CC(c1cc2c(c3c1cccc3)CCCC2)O.Cl
【MOL File】
9-(2-(DIAMYLAMINO)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-(2-(DIAMYLAMINO)-1-HYDROXYETHYL)-1,2,3,4-TETRAHYDROPHENANTHRENE HYDROCHLORIDE.cml