CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Color/Form | Pale yellow crystals from isopropanol |
Melting Point | 147-149 °C |
Solubility | 820 mg/L |
LogP | 2.24 |
pH | 8-10 /Aqueous suspensions/ |
Other Experimental Properties | /Oxamniquine/ is structurally similar to hycanthone and lucanthone. |
COMPUTED DESCRIPTORS
Molecular Weight | 279.33 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 279.15829154 g/mol |
Monoisotopic Mass | 279.15829154 g/mol |
Topological Polar Surface Area | 90.1 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 332 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol is a member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively. It is a member of quinolines, a C-nitro compound, a secondary amino compound and an aromatic primary alcohol.