CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 214 °C |
| Solubility | 500.0 mg/mL |
| LogP | -0.37 |
| Collision Cross Section | 121.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1505 1474 |
COMPUTED DESCRIPTORS
| Molecular Weight | 120.11 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.043596145 g/mol |
| Monoisotopic Mass | 120.043596145 g/mol |
| Topological Polar Surface Area | 54.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 105 |
| 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
7H-purine is the 7H-tautomer of purine. It is a tautomer of a 1H-purine, a 3H-purine and a 9H-purine.