BRN 0623109

7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione

CAS: 72004-13-8

Molecular Formula	`C18H23N3O2`
Molecular Weight	313.4 g/mol
LogP	1.2
Topological Polar Surface Area	52.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	313.17902
Heavy Atoms	23
Complexity	508.0

Chemical Identifiers

CAS Number	72004-13-8
SMILES	`CC1=CC2=C(C=C1C)NC(=O)C=C(C2=O)CN3CCN(CC3)C`
InChIKey	`SJYVHRXXCUSDJN-UHFFFAOYSA-N`

📖 Product Overview

BRN 0623109 (CAS: 72004-13-8) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.4 g/mol. Its IUPAC systematic name is 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-1-benzazepine-2,5-dione. LogP 1.2 Topological Polar Surface Area 52.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 313.17902 Heavy Atoms 23 Complexity 508.0 InChI Key: SJYVHRXXCUSDJN-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1C)NC(=O)C=C(C2=O)CN3CCN(CC3)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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