1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((hexahydro-1H-azepin-1-yl)methyl)-7-methyl-, hydrochloride

4-(azepan-1-ium-1-ylmethyl)-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one chloride

CAS: 96421-74-8

Molecular Formula	`C18H26ClNO2`
Molecular Weight	323.9 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	323.1652
Heavy Atoms	22
Complexity	349.0

Chemical Identifiers

CAS Number	96421-74-8
SMILES	`CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCCC3.[Cl-]`
InChIKey	`QAYSYICRAFRXQO-UHFFFAOYSA-N`

📖 Product Overview

1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((hexahydro-1H-azepin-1-yl)methyl)-7-methyl-, hydrochloride (CAS: 96421-74-8) is a chemical compound with molecular formula C18H26ClNO2 and molecular weight 323.9 g/mol. Its IUPAC systematic name is 4-(azepan-1-ium-1-ylmethyl)-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 323.1652 Heavy Atoms 22 Complexity 349.0 InChI Key: QAYSYICRAFRXQO-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCCC3.[Cl-].

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((hexahydro-1H-azepin-1-yl)methyl)-7-methyl-, hydrochloride.

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