CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow-green solid; [HSDB] |
|---|---|
| Color/Form | Microcrystalline powder |
| Odor | Strong garlic/sulfur odor |
| Melting Point | 154-158 °C |
| Flash Point | Flash point > 58 °C |
| Solubility | Readily soluble in ethanol, diethyl ether, acetone, and chloroform. Insoluble in hexane. |
| Vapor Pressure | 2.7X10-11 mm Hg at 25 °C |
| LogP | log Kow = 1.09 |
| Stability/Shelf Life | Stable in the dark. DT50 50 days (pH 5, room temperature); rapidly decomposed at higher temperatures, in alkaline and strongly acidic media. |
| Optical Rotation | Specific optical rotation = -53 degrees (C=0.5 in chloroform) |
| Collision Cross Section | 241.4 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Pesticides -> Other Insecticides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 720.7 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 10 |
| Exact Mass | 720.26293531 g/mol |
| Monoisotopic Mass | 720.26293531 g/mol |
| Topological Polar Surface Area | 215 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 16 |
| 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
Azadirachtin A is a member of the family of azadirachtins that is isolated from the neem tree (Azadirachta indica). It has a role as a hepatoprotective agent. It is an azadirachtin, an organic heterotetracyclic compound, an acetate ester, an epoxide, an enoate ester, a cyclic hemiketal, a tertiary alcohol, a secondary alcohol and a methyl ester.
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