methyl[(4-methyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 310407
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1c([nH]cc1C)CNC
• Canonical SMILES: CNCc1[nH]cc(n1)C
• InChI: InChI=1S/C6H11N3/c1-5-3-8-6(9-5)4-7-2/h3,7H,4H2,1-2H3,(H,8,9)
• InChIKey: VWPUDWHRYBWJRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methyl-1H-imidazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(4-methyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 774213-87-5
• MDL Number: MFCD12106076

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7703137
• LogD (pH = 7.4): -1.0612993
• Log P: -0.38233876
• Molar Refractivity: 36.1793 cm^3
• Polarizability: 14.112558 Å^3
• Polar Surface Area: 40.71 Å^2