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15537-72-1

15537-72-1 structural image
Product Name: 1,1-DIMETHYLBIGUANIDE HYDROCHLORIDE
Formula: C4H11N5
Synonyms: Metformin
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CHEMICAL AND PHYSICAL PROPERTIES

Stability/Shelf Life Stable under recommended storage conditions. /Metformin hydrochloride/
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas. /Metformin hydrochloride/
Dissociation Constants pKa = 12.4 /Metformin hydrochloride/
Collision Cross Section 123 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties MW: 165.63. Prisms from water, MP 232 °C; crystals from propanol, MP 218-220 °C. Freely soluble in water; slightly soluble in alcohol. Practically insoluble in ether, chloroform, acetone, methylene chloride. /Metformin hydrochloride/

COMPUTED DESCRIPTORS

Molecular Weight 165.62 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 165.0781231 g/mol
Monoisotopic Mass 165.0781231 g/mol
Topological Polar Surface Area 91.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 132
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Metformin hydrochloride is a hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride. It has a role as an environmental contaminant, a hypoglycemic agent and a xenobiotic. It contains a metformin(1+).