1-[(1,2-DIHYDRO-1-OXO-5-ISOQUINOLINYL)SULFONYL]HEXAHYDRO-1H-1,4-DIAZEPINE

About This Item

Molecular Formula	C₁₄H₁₇N₃O₃S
CAS Number	105628-72-6

FC-0425162

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Properties

Chemical Identifiers

IUPAC Name	5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one
SMILES	C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O
InChI Key	ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
InChI	InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)

Physical Properties

Boiling Point	613.7ºC at 760mmHg
Flash Point	325ºC
Density	1.329g/cm3

Safety Information

Flash Point

325ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.