73334-58-4
Product Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI)
Formula:
C5H4N4O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 4-hydroxypyrazolo(3,4-d)pyrimidine is an odorless tasteless white microcrystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | FLUFFY WHITE TO OFF-WHITE POWDER |
| Odor | SLIGHT |
| Taste | TASTELESS |
| Boiling Point | 250.36 |
| Melting Point | greater than 662 °F (NTP, 1992) |
| Solubility | 17.1 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -1.8 |
| LogS | -1.4 |
| Stability/Shelf Life | Stable in light and air |
| Decomposition | When heated to decomposition it emits toxic fumes of oxides of /nitric oxide/. |
| Dissociation Constants | 10.2 (at 25℃) |
| Collision Cross Section | 123 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 882 882 |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.11 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.03851076 g/mol |
| Monoisotopic Mass | 136.03851076 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 190 |
| 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
4-hydroxypyrazolo(3,4-d)pyrimidine is an odorless tasteless white microcrystalline powder. (NTP, 1992)