54-62-6
Product Name:
Aminopterin
Formula:
C19H20N8O5
Synonyms:
Aminopterin;(S)-2-{4-[(2,4-Diaminopteridin-6-yl)methylamino]benzamido}pentanedioic acid;4-Aminofolic acid;4-Amino-PGA;4-Aminopteroyl-L -glutamic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clusters of yellow needles. Used as a rodenticide, medicine and rodenticide. Not registered as a rodenticide in the U.S. (EPA, 1998) |
|---|---|
| Color/Form | Orange-yellow powder |
| Melting Point | 225 °C (437 °F) |
| Solubility | 3.0X103 mg/L |
| Vapor Pressure | 2.3X10-19 mg Hg at 25 °C /Estimated/ |
| LogP | -1.8 |
| Henry's Law Constant | Henry's Law constant = 7.5X10-33 atm-cu m/mol at 25 °C /Estimated/ |
| Decomposition | When heated to decomposition, it emits ... fumes of NO(x). |
| Dissociation Constants | 5.5 |
| Collision Cross Section | 204.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Cluster of yellow needles. UV max of 0.75 hydrate (0.1N NaOH) 261,282, 373 /Dihydrate/ |
| Chemical Classes | Pesticides -> Rodenticides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H360:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 440.4 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 440.15566577 g/mol |
| Monoisotopic Mass | 440.15566577 g/mol |
| Topological Polar Surface Area | 219 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 674 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Clusters of yellow needles. Used as a rodenticide, medicine and rodenticide. Not registered as a rodenticide in the U.S. (EPA, 1998)