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98769-81-4

98769-81-4 structural image
Product Name: Reboxetine
Formula: C19H23NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 170-171 °C (Mesylate salt)
Solubility 8 mg/mL (Mesylate salt)
LogP 3.1
Collision Cross Section 174 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

COMPUTED DESCRIPTORS

Molecular Weight 313.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 313.16779360 g/mol
Monoisotopic Mass 313.16779360 g/mol
Topological Polar Surface Area 39.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 333
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

Reboxetine is an aromatic ether.