3-Dimethylaminomethylkhellin hydrochloride structure

3-Dimethylaminomethylkhellin hydrochloride

6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride

Also Known As: 3-Dimethylaminomethylkhellin hydrochloride|6-(Dimethylaminomethyl)-4,9-dimethoxy-7-methylpyrano(3,2-f)(1)benzoxol-5-one hydrochloride|6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride|6-(dimethylaminomethyl)-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one hydrochloride|5H-Furo(3,2-g)(1)benzopyran-5-one, 6-((dimethylamino)methyl)-4,9-dimethoxy-7-methyl-, hydrochloride|6-[(Dimethylamino)methyl]-4,9-dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one--hydrogen chloride (1/1)

CAS: 34086-73-2
Molecular Formula C17H20ClNO5
Molecular Weight 353.103 g/mol
LogP 3.34822
Topological Polar Surface Area 61.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 353.103
Monoisotopic Mass 353.103
Heavy Atoms 24
Complexity 503.0

Chemical Identifiers

CAS Number 34086-73-2
SMILES CC1=C(C(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC)CN(C)C.Cl
InChIKey GLLKSEFEOCSNQZ-UHFFFAOYSA-N

Product Overview

3-Dimethylaminomethylkhellin hydrochloride (CAS 34086-73-2), with molecular formula C17H20ClNO5 and molecular weight 353.103 g/mol. IUPAC: 6-[(dimethylamino)methyl]-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride.

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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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