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

• ChemBase ID: 802099
• Molecular Formular: C4H8ClN3
• Molecular Mass: 133.57942
• Monoisotopic Mass: 133.04067495
• SMILES: Cl.n1(c(ncc1)N)C
• Canonical SMILES: Cn1ccnc1N.Cl
• InChI: InChI=1S/C4H7N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H,1H3,(H2,5,6);1H
• InChIKey: JWMWVKLQTDSFTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: 1-methylimidazol-2-amine hydrochloride
• Synonyms: 1-METHYL-1H-IMIDAZOL-2-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 1450-94-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1394114
• LogD (pH = 7.4): -1.0697463
• Log P: -0.06622409
• Molar Refractivity: 28.0832 cm^3
• Polarizability: 10.050536 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%