1H-imidazol-2-amine

• ChemBase ID: 160204
• Molecular Formular: C3H5N3
• Molecular Mass: 83.0919
• Monoisotopic Mass: 83.04834718
• SMILES: c1nc([nH]c1)N
• Canonical SMILES: Nc1ncc[nH]1
• InChI: InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
• InChIKey: DEPDDPLQZYCHOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazol-2-amine
• IUPAC Traditional name: 1H-imidazol-2-amine
• Synonyms: 1H-Imidazol-2-amine Sulfate; 2-Aminoimidazole Hemisulfate; 2-Aminoimidazolium Sulfate; 2-Aminoimidazole Sulfate; 2-aminoimidazole

Database IDs

• CAS Number: 1450-93-7; 7720-39-0
• PubChem SID: 162254339
• PubChem CID: 82140

CALCULATED PROPERTIES

• Acid pKa: 13.927375
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3633752
• LogD (pH = 7.4): -1.3127708
• Log P: -0.28990015
• Molar Refractivity: 23.1865 cm^3
• Polarizability: 8.296565 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water (Sparingly)
• Apperance: Beige Solid
• Melting Point: >275°C (dec)

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 97%