CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 191-192 °C |
Solubility | 2.9 mg/mL (in pH 5.2 water) |
LogP | 5.2 |
Decomposition | When heated to decomposition, material emits very toxic fumes of /hydrogen chloride/ and /nitrogen oxides/. Emits toxic fumes |
Collision Cross Section | 168 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
Other Experimental Properties | White to cream crystalline powder /Sibutramine hydrochloride monohydrate/ |
COMPUTED DESCRIPTORS
Molecular Weight | 279.8 g/mol |
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XLogP3 | 5.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 5 |
Exact Mass | 279.1753775 g/mol |
Monoisotopic Mass | 279.1753775 g/mol |
Topological Polar Surface Area | 3.2 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 275 |
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
Sibutramine is an organochlorine compound and a tertiary amino compound. It has a role as an anti-obesity agent and a serotonin uptake inhibitor.