CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 117.5 °C |
| Solubility | 7 mg/mL |
| Collision Cross Section | 137.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1495 1485 1490 1490 1495 1476.9 |
COMPUTED DESCRIPTORS
| Molecular Weight | 165.23 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.115364102 g/mol |
| Monoisotopic Mass | 165.115364102 g/mol |
| Topological Polar Surface Area | 23.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 117 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Hordenine is a phenethylamine alkaloid. It has a role as a human metabolite and a mouse metabolite.