73986-53-5
Product Name:
O-DEMETHLY TRAMADOL
Formula:
C15H23NO2
Synonyms:
O-Demethyl tramadol;2-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)cyclohexanol
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CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 157.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
|---|---|
| Kovats Retention Index | 2074.2 |
COMPUTED DESCRIPTORS
| Molecular Weight | 249.35 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.172878976 g/mol |
| Monoisotopic Mass | 249.172878976 g/mol |
| Topological Polar Surface Area | 43.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 269 |
| 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 |