9H-purin-6-ol

• ChemBase ID: 105837
• Molecular Formular: C5H4N4O
• Molecular Mass: 136.11146
• Monoisotopic Mass: 136.03851077
• SMILES: Oc1ncnc2c1nc[nH]2
• Canonical SMILES: Oc1ncnc2c1nc[nH]2
• InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
• InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-purin-6-ol
• IUPAC Traditional name: C5H3N4O; 9H-purin-6-ol
• Synonyms: Hypoxanthine; 6-Hydroxypurine; HYPOXANTHINE ANHYDROUS; 9H-Purin-6-ol; 次黄嘌呤

Database IDs

• CAS Number: 68-94-0
• EC Number: 200-697-3
• MDL Number: MFCD00005725
• Beilstein Number: 5811
• Merck Index: 144869
• PubChem SID: 162087642
• PubChem CID: 790

CALCULATED PROPERTIES

• Acid pKa: 9.140596
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.005743584
• LogD (pH = 7.4): -0.012672113
• Log P: -0.0056520975
• Molar Refractivity: 33.8798 cm^3
• Polarizability: 12.861158 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C; 150°C (dec.)
• Partition Coefficient: -0.38994

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UP0791000
• TSCA Listed: 是

Product Information

• Purity: ≥99%; 95+%; 99%

DETAILS

MP Biomedicals - 02194687

Cell Culture Reagent
Anhydrous
Crystalline
Purity: 99+%