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

• ChemBase ID: 289474
• Molecular Formular: C4H8ClN3
• Molecular Mass: 133.57942
• Monoisotopic Mass: 133.04067495
• SMILES: Nc1cn(C)cn1.Cl
• Canonical SMILES: Cn1cc(nc1)N.Cl
• InChI: InChI=1S/C4H7N3.ClH/c1-7-2-4(5)6-3-7;/h2-3H,5H2,1H3;1H
• InChIKey: STHPSKXDPYIGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-imidazol-4-amine hydrochloride
• IUPAC Traditional name: 1-methylimidazol-4-amine hydrochloride
• Synonyms: 1-Methyl-1H-imidazol-4-amine hydrochloride

Database IDs

• CAS Number: 89088-69-7
• MDL Number: MFCD21340310
• PubChem SID: 180675005
• PubChem CID: 56956233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0715921
• LogD (pH = 7.4): -0.25006193
• Log P: -0.15601656
• Molar Refractivity: 28.9234 cm^3
• Polarizability: 10.052457 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%