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

• ChemBase ID: 307018
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1cn(cc1)CCNC
• Canonical SMILES: CNCCn1cncc1
• InChI: InChI=1S/C6H11N3/c1-7-2-4-9-5-3-8-6-9/h3,5-7H,2,4H2,1H3
• InChIKey: UUHRZOGUDROUKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 106891-44-5
• MDL Number: MFCD08144080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9619153
• LogD (pH = 7.4): -2.7591448
• Log P: -0.28595155
• Molar Refractivity: 36.6339 cm^3
• Polarizability: 14.109888 Å^3
• Polar Surface Area: 29.85 Å^2