38221-21-5
Product Name:
6,7-DIHYDROXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROBROMIDE
Formula:
C10H14BrNO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 141.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 260.13 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 259.02079 g/mol |
| Monoisotopic Mass | 259.02079 g/mol |
| Topological Polar Surface Area | 52.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 186 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |