CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 155.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
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Kovats Retention Index | 1841 |
COMPUTED DESCRIPTORS
Molecular Weight | 260.13 g/mol |
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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.