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69587-11-7

69587-11-7 structural image
Product Name: 4-IODO-2,5-DIMETHOXYPHENETHYLAMINE
Formula: C10H14INO2
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 157.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2330

COMPUTED DESCRIPTORS

Molecular Weight 307.13 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 307.00693 g/mol
Monoisotopic Mass 307.00693 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