4,5-dimethyl-1H-imidazol-2-amine

• ChemBase ID: 804274
• Molecular Formular: C5H9N3
• Molecular Mass: 111.14506
• Monoisotopic Mass: 111.0796473
• SMILES: [nH]1c(nc(c1C)C)N
• Canonical SMILES: Nc1[nH]c(c(n1)C)C
• InChI: InChI=1S/C5H9N3/c1-3-4(2)8-5(6)7-3/h1-2H3,(H3,6,7,8)
• InChIKey: JUWWVCSNLLWQBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-1H-imidazol-2-amine
• IUPAC Traditional name: 4,5-dimethyl-1H-imidazol-2-amine
• Synonyms: 4,5-DIMETHYL-1H-IMIDAZOL-2-AMINE

Database IDs

• CAS Number: 13805-21-5

CALCULATED PROPERTIES

• Acid pKa: 15.385537
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4976258
• LogD (pH = 7.4): -1.4030082
• Log P: 0.041031335
• Molar Refractivity: 32.9277 cm^3
• Polarizability: 11.813425 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%