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525-57-5

525-57-5 structural image
Product Name: HARMALOL
Formula: C12H12N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 100 - 105 °C
LogP 2.19

COMPUTED DESCRIPTORS

Molecular Weight 200.24 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 200.094963011 g/mol
Monoisotopic Mass 200.094963011 g/mol
Topological Polar Surface Area 48.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 289
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Harmalol is a harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an algal metabolite. It derives from a hydride of a harman.