1H-imidazole-1,5-diamine

• ChemBase ID: 798978
• Molecular Formular: C3H6N4
• Molecular Mass: 98.10654
• Monoisotopic Mass: 98.05924621
• SMILES: n1(cncc1N)N
• Canonical SMILES: Nn1cncc1N
• InChI: InChI=1S/C3H6N4/c4-3-1-6-2-7(3)5/h1-2H,4-5H2
• InChIKey: DUFSARFAYDQOQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazole-1,5-diamine
• IUPAC Traditional name: imidazole-1,5-diamine
• Synonyms: 1H-imidazole-1,5-diamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.42069
• LogD (pH = 7.4): -2.018291
• Log P: -1.8504581
• Molar Refractivity: 28.8613 cm^3
• Polarizability: 9.448878 Å^3
• Polar Surface Area: 69.86 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%