methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 310399
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(n(ccn1)C)CNC
• Canonical SMILES: CNCc1nccn1C
• InChI: InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3
• InChIKey: YFSZWZHEKIMAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylimidazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 642075-19-2
• MDL Number: MFCD05864571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5856204
• LogD (pH = 7.4): -0.943126
• Log P: -0.29003286
• Molar Refractivity: 36.4845 cm^3
• Polarizability: 14.107642 Å^3
• Polar Surface Area: 29.85 Å^2