CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White amorphous powder |
|---|---|
| Boiling Point | 235 °C at 5 mm Hg |
| Melting Point | 104 °C |
| Solubility | Soluble in alcohol, chloroform, acetic acid |
| Optical Rotation | Specific optical rotation: +39 deg at 25 °C/D (chloroform) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 398.22055744 g/mol |
| Monoisotopic Mass | 398.22055744 g/mol |
| Topological Polar Surface Area | 63.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 624 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Mitragynine is a monoterpenoid indole alkaloid.