126264-57-1
ISOQUINOLINE-5-SULFONIC ACID (PIPERIDIN-4-YLMETHYL)-AMIDE DIHYDROCHLORIDE
NameISOQUINOLINE-5-SULFONIC ACID (PIPERIDIN-4-YLMETHYL)-AMIDE DIHYDROCHLORIDE
FormulaC15 H19 N3 O2 S . 2 Cl H
1Identification
【Name】
ISOQUINOLINE-5-SULFONIC ACID (PIPERIDIN-4-YLMETHYL)-AMIDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09834602
【English Synonyms】
【Formula】
C15 H19 N3 O2 S . 2 Cl H
【MolWeight】
378.322
【Inchi】
InChI=1S/C15H19N3O2S.2ClH/c19-21(20,18-10-12-4-7-16-8-5-12)15-3-1-2-13-11-17-9-6-14(13)15;;/h1-3,6,9,11-12,16,18H,4-5,7-8,10H2;2*1H
【InChIKey】
InChIKey=CBEADUOVZQDPGS-UHFFFAOYSA-N
【SMILES】
c1cc2cnccc2c(c1)S(=O)(=O)NCC3CCNCC3.Cl.Cl
【MOL File】
ISOQUINOLINE-5-SULFO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOQUINOLINE-5-SULFONIC ACID (PIPERIDIN-4-YLMETHYL)-AMIDE DIHYDROCHLORIDE.cml