27740-96-1
Product Name:
1-METHYL-6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLINE MONOHYDRATE
Formula:
C10H13NO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 142.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 179.22 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.094628657 g/mol |
| Monoisotopic Mass | 179.094628657 g/mol |
| Topological Polar Surface Area | 52.5 Ų |
| Heavy Atom Count | 13 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(S)-salsolinol is a 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration. It has a role as a human urinary metabolite. It is an enantiomer of a (R)-salsolinol.