58-15-1
Product Name:
Aminopyrine
Formula:
C13H17N3O
Synonyms:
4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one;Aminopyrine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Small colorless crystals or white crystalline powder. Aqueous solution slightly alkaline to litmus. pH (5% water solution) 7.5-9. Odorless. Slightly bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | LEAFLETS FROM LIGROIN |
| Odor | ODORLESS |
| Melting Point | 225 to 228 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| LogP | 1 |
| LogS | -0.63 |
| Stability/Shelf Life | STABLE IN AIR, BUT AFFECTED BY LIGHT |
| Decomposition | WHEN HEATED TO DECOMP, IT EMITS TOXIC FUMES OF /NITROGEN OXIDES/. |
| pH | AQ SOLN IS SLIGHTLY ALKALINE TO LITMUS |
| Refractive Index | INDEX OF REFRACTION: ALPHA 1.520, GAMMA 1.732 |
| Caco2 Permeability | -4.44 |
| Dissociation Constants | 5 |
| Collision Cross Section | 151.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
| Kovats Retention Index | 1877 1879 1880 1905 1925 1950 1917 1900 1903 1890 1935 1940 1915 1950 1903 1909.2 1890 1916 |
| Other Experimental Properties | FORMS EUTECTIC MIXT WITH ACETYLSALICYLIC ACID, PHENYL SALICYLATE, PHENOL, & CITRIC, TARTARIC & SALICYLIC ACIDS |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 231.29 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.137162174 g/mol |
| Monoisotopic Mass | 231.137162174 g/mol |
| Topological Polar Surface Area | 26.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 343 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Small colorless crystals or white crystalline powder. Aqueous solution slightly alkaline to litmus. pH (5% water solution) 7.5-9. Odorless. Slightly bitter taste. (NTP, 1992)