CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Liquid |
| Boiling Point | 138-140 °C @ 12 mm Hg |
| Melting Point | 139 °C |
| Solubility | >5 mg/L |
| LogP | 1.7 |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Refractive Index | INDEX OF REFRACTION: 1.508 (ALPHA); 1.516 (BETA); 1.628 (GAMMA) /PHENMETRAZINE HYDROCHLORIDE/ |
| Collision Cross Section | 138.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1469 1419 1419 1420 1416 1425 1458 1468 1440 1440 1430 1431 1424.4 1437.7 1438.5 1425 1425 1431 1420 1420 |
| Other Experimental Properties | MELTS WITHIN RANGE OF 3 DEG BETWEEN 172 °C & 182 °C; PKA 7.6 /PHENMETRAZINE HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 177.24 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.115364102 g/mol |
| Monoisotopic Mass | 177.115364102 g/mol |
| Topological Polar Surface Area | 21.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 154 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phenmetrazine is a member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. It has a role as a metabolite and a sympathomimetic agent. It is functionally related to a morpholine.