trimethyl-1H-imidazol-2-amine

• ChemBase ID: 813884
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1(c(nc(c1C)C)N)C
• Canonical SMILES: Nc1nc(c(n1C)C)C
• InChI: InChI=1S/C6H11N3/c1-4-5(2)9(3)6(7)8-4/h1-3H3,(H2,7,8)
• InChIKey: CBCIYKBGCGRWLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl-1H-imidazol-2-amine
• IUPAC Traditional name: trimethylimidazol-2-amine
• Synonyms: 1,4,5-trimethyl-1H-imidazol-2-amine

Database IDs

• CAS Number: 1196154-82-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2734331
• LogD (pH = 7.4): -1.1480311
• Log P: 0.26470742
• Molar Refractivity: 37.8244 cm^3
• Polarizability: 13.571173 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%