18836-52-7
Product Name:
pellitorine
Formula:
C14H25NO
Synonyms:
(2E,4E)-N-(2-Methylpropyl)-2,4-decadienamide;(2E,4E)-N-Isobutyl-2,4-decadienamide;2E,4E-Decadienoic acid N-isobutylamide;trans-Pellitorin;trans-Pellitorine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless off-white to yellow solid; Spicy herb-type aroma |
|---|---|
| Solubility | Insoluble in water |
| Kovats Retention Index | 1942.7 1938 1931 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. |
COMPUTED DESCRIPTORS
| Molecular Weight | 223.35 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 223.193614421 g/mol |
| Monoisotopic Mass | 223.193614421 g/mol |
| Topological Polar Surface Area | 29.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 229 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pellitorine is a fatty amide. It has a role as a metabolite.