Adenine hydrochlorideProduct ingredient for Adenine
- Name
- Adenine hydrochloride
- Drug Entry
- Adenine
A purine base and a fundamental unit of adenine nucleotides.
- Accession Number
- DBSALT002225
- Structure
Structure for Adenine hydrochloride (DBSALT002225)
- Synonyms
- Not Available
- UNII
- 364H11M7OD
- CAS Number
- 2922-28-3
- Weight
- Average: 171.59
Monoisotopic: 171.0311729 - Chemical Formula
- C5H6ClN5
- InChI Key
- UQVDQSWZQXDUJB-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
- IUPAC Name
- 9H-purin-6-amine hydrochloride
- SMILES
- Cl.NC1=C2N=CNC2=NC=N1
- External Links
- ChemSpider
- 68701
- BindingDB
- 50228485
- ChEMBL
- CHEMBL539503
- Predicted Properties
Property Value Source Water Solubility 19.8 mg/mL ALOGPS logP -0.38 ALOGPS logP -0.53 Chemaxon logS -0.83 ALOGPS pKa (Strongest Acidic) 9.9 Chemaxon pKa (Strongest Basic) 4.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.48 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 36.6 m3·mol-1 Chemaxon Polarizability 12.37 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon