77562-88-0
Product Name:
1-Piperazineethanamine, 4-butyl-alpha-methyl-N-phenyl-, ethanedioate, hydrate (2:4:1)
Formula:
2C17H29N3.4C2H2O4.H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 455.22676502 g/mol |
| Monoisotopic Mass | 455.22676502 g/mol |
| Topological Polar Surface Area | 182 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 335 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |