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66142-81-2

66142-81-2 structural image
Product Name: (+/-) 1-(4-BROMO-2 5-DIMETHOXYPHENYL)-2&
Formula: C10H14BrNO2
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 155.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 1841

COMPUTED DESCRIPTORS

Molecular Weight 260.13 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 259.02079 g/mol
Monoisotopic Mass 259.02079 g/mol
Topological Polar Surface Area 44.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 168
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

2,5-dimethoxy-4-bromophenethylamine is a 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.