CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | CRYSTALS FROM ACETONE |
|---|---|
| Melting Point | 178 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, BENZENE, CHLOROFORM, ETHER, ACETONE, DILUTE ACIDS |
| Optical Rotation | SPECIFIC OPTICAL ROTATION (C= 1.2 IN CHLOROFORM): +13 DEG @ 20 °C/D; PKA 7.75 IN 80% METHYLCELLOSOLVE; MAX ABSORPTION (METHANOL): 210, 252, 280 NM (LOG E= 4.50, 3.87, 3.15) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 322.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 322.168127949 g/mol |
| Monoisotopic Mass | 322.168127949 g/mol |
| Topological Polar Surface Area | 41.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 635 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Gelsemin is a natural product found in Gelsemium sempervirens and Gelsemium elegans with data available.