73-24-5
Product Name:
Adenine
Formula:
C5H5N5
Synonyms:
6-Aminopurine;Adenine;Adenine - CAS 73-24-5 - Calbiochem;Vitamin B4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 360 dec °C |
| Solubility | >20.3 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -0.09 |
| LogS | -2.12 |
| Ionization Efficiency | Positive |
| Dissociation Constants | 4.15 (at 25 °C) |
| Collision Cross Section | 125.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1836 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 135.13 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.05449518 g/mol |
| Monoisotopic Mass | 135.05449518 g/mol |
| Topological Polar Surface Area | 80.5 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 127 |
| 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
Adenine is the parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. It has a role as a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purine nucleobase and a member of 6-aminopurines. It derives from a hydride of a 9H-purine.