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515-25-3

515-25-3 structural image
Product Name: BETONICINE
Formula: C7H13NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 252 °C

COMPUTED DESCRIPTORS

Molecular Weight 159.18 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 159.08954328 g/mol
Monoisotopic Mass 159.08954328 g/mol
Topological Polar Surface Area 60.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 173
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trans-4-hydroxy-L-proline betaine is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has a role as a plant metabolite. It is an amino-acid betaine, a secondary alcohol and a pyrrolidine alkaloid. It is functionally related to a trans-4-hydroxy-L-proline zwitterion.