methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine

• ChemBase ID: 91235
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1cn(C)c(c1)CNC
• Canonical SMILES: CNCc1cncn1C
• InChI: InChI=1S/C6H11N3/c1-7-3-6-4-8-5-9(6)2/h4-5,7H,3H2,1-2H3
• InChIKey: YZCXLAHTHBVYGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(3-methylimidazol-4-yl)methyl]amine
• Synonyms: N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]amine; N-Methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]amine; 1-Methyl-5-[(methylamino)methyl]-1H-imidazole 97%

Database IDs

• CAS Number: 384821-19-6
• MDL Number: MFCD07772801
• PubChem SID: 162077939
• PubChem CID: 7164555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3926604
• LogD (pH = 7.4): -1.7576721
• Log P: -0.44319817
• Molar Refractivity: 37.035 cm^3
• Polarizability: 14.106798 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%; 98%