1H-purin-6-amine

• ChemBase ID: 105821
• Molecular Formular: C5H5N5
• Molecular Mass: 135.1267
• Monoisotopic Mass: 135.05449519
• SMILES: Nc1c2ncnc2[nH]cn1
• Canonical SMILES: Nc1nc[nH]c2c1ncn2
• InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
• InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-purin-6-amine; 3H-purin-6-amine
• IUPAC Traditional name: 1h-purin-6-amine; ADE
• Synonyms: 1H-Purin-6-amine; 6-Aminopurine; ADENINE FREE BASE

Database IDs

• CAS Number: 73-24-5
• EC Number: 200-796-1
• MDL Number: MFCD00041790
• PubChem SID: 162092838
• PubChem CID: 190

CALCULATED PROPERTIES

• Acid pKa: 6.210703
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.79093015
• LogD (pH = 7.4): -1.5279089
• Log P: -0.7221876
• Molar Refractivity: 36.9098 cm^3
• Polarizability: 13.365445 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AU6125000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Purity: 98%; 99%

DETAILS

MP Biomedicals - 02194606

Free Base
Cell Culture Reagent
Purity: 99%
Viral research reagent and blood perservative.