4-ethyl-1-methyl-1H-imidazol-5-amine hydrochloride

• ChemBase ID: 278659
• Molecular Formular: C6H12ClN3
• Molecular Mass: 161.63258
• Monoisotopic Mass: 161.07197508
• SMILES: c1(n(cnc1CC)C)N.Cl
• Canonical SMILES: CCc1ncn(c1N)C.Cl
• InChI: InChI=1S/C6H11N3.ClH/c1-3-5-6(7)9(2)4-8-5;/h4H,3,7H2,1-2H3;1H
• InChIKey: HMUNAADVAIPDPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1-methyl-1H-imidazol-5-amine hydrochloride
• IUPAC Traditional name: 5-ethyl-3-methylimidazol-4-amine hydrochloride
• Synonyms: 4-ethyl-1-methyl-1H-imidazol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD20233495
• PubChem SID: 164334569
• PubChem CID: 53626275

CALCULATED PROPERTIES

• Molar Refractivity: 37.0816 cm^3
• Polarizability: 13.648727 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.87027544
• LogD (pH = 7.4): -0.37755194
• Log P: 0.17072293

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.45

Product Information

• Purity: 95%