5-methyl-1H-imidazol-2-amine hydrochloride

• ChemBase ID: 810884
• Molecular Formular: C4H8ClN3
• Molecular Mass: 133.57942
• Monoisotopic Mass: 133.04067495
• SMILES: Cl.Nc1[nH]c(cn1)C
• Canonical SMILES: Cc1cnc([nH]1)N.Cl
• InChI: InChI=1S/C4H7N3.ClH/c1-3-2-6-4(5)7-3;/h2H,1H3,(H3,5,6,7);1H
• InChIKey: RCRXGQCNPSDRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: 4-methyl-3H-imidazol-2-amine hydrochloride
• Synonyms: 5-METHYL-1H-IMIDAZOL-2-YL-AMINE HCL

Database IDs

• CAS Number: 6775-38-8

CALCULATED PROPERTIES

• Acid pKa: 14.1511
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1642066
• LogD (pH = 7.4): -1.1414108
• Log P: -0.09033883
• Molar Refractivity: 28.3362 cm^3
• Polarizability: 10.05295 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%