27114-40-5
QUINOLINE, 1,2,3,4-TETRAHYDRO-2-((3,4-DIHYDROXYPHENETHYLAMINO)METHYL)-, DIHYDROBROMIDE
NameQUINOLINE, 1,2,3,4-TETRAHYDRO-2-((3,4-DIHYDROXYPHENETHYLAMINO)METHYL)-, DIHYDROBROMIDE
pro_formulaC18 H22 N2 O2 . 2 Br H
1Identification
【Name】
QUINOLINE, 1,2,3,4-TETRAHYDRO-2-((3,4-DIHYDROXYPHENETHYLAMINO)METHYL)-, DIHYDROBROMIDE
【CAS】
【MDL】
MFCD01685387
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H22 N2 O2 . 2 Br H
【pro_molWeight】
460.208
【Inchi】
InChI=1S/C18H22N2O2.2BrH/c21-17-8-5-13(11-18(17)22)9-10-19-12-15-7-6-14-3-1-2-4-16(14)20-15;;/h1-5,8,11,15,19-22H,6-7,9-10,12H2;2*1H
【InChIKey】
InChIKey=MMLWJCIXKYNCNI-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCC(N2)CNCCc3ccc(c(c3)O)O.Br.Br
【MOL File】
QUINOLINE, 1,2,3,4-T….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
QUINOLINE, 1,2,3,4-TETRAHYDRO-2-((3,4-DIHYDROXYPHENETHYLAMINO)METHYL)-, DIHYDROBROMIDE.cml