(1-ethyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 306851
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: c1(n(ccn1)CC)CN
• Canonical SMILES: NCc1nccn1CC
• InChI: InChI=1S/C6H11N3/c1-2-9-4-3-8-6(9)5-7/h3-4H,2,5,7H2,1H3
• InChIKey: XAKAVKFLXVMKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: (1-ethylimidazol-2-yl)methanamine
• Synonyms: 1-(1-ethyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 893729-81-2
• MDL Number: MFCD07440347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8018808
• LogD (pH = 7.4): -1.1567463
• Log P: -0.3658053
• Molar Refractivity: 36.4585 cm^3
• Polarizability: 14.107434 Å^3
• Polar Surface Area: 43.84 Å^2