6724-53-4
Product Name:
PERHEXILINE MALEATE SALT
Formula:
C23H39NO4
Synonyms:
2-(2,2-Dicyclohexylethyl)piperidine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 179.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 393.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 393.28790873 g/mol |
| Monoisotopic Mass | 393.28790873 g/mol |
| Topological Polar Surface Area | 86.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 364 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |