Compound C17H26ClNO

2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride

CAS: 111475-15-1

Molecular Formula	`C17H26ClNO`
Molecular Weight	295.8 g/mol
Topological Polar Surface Area	21.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	295.1703
Heavy Atoms	20
Complexity	262.0

Chemical Identifiers

CAS Number	111475-15-1
SMILES	`CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-]`
InChIKey	`ANRAAPIPUFBQJQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H26ClNO (CAS: 111475-15-1) is a chemical compound with molecular formula C17H26ClNO and molecular weight 295.8 g/mol. Its IUPAC systematic name is 2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride. Topological Polar Surface Area 21.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 5 Exact Mass 295.1703 Heavy Atoms 20 Complexity 262.0 InChI Key: ANRAAPIPUFBQJQ-UHFFFAOYSA-N. SMILES: CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-].

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