ethyl[(1-methyl-1H-imidazol-2-yl)(pyridin-3-yl)methyl]amine

• ChemBase ID: 271978
• Molecular Formular: C12H16N4
• Molecular Mass: 216.28224
• Monoisotopic Mass: 216.13749653
• SMILES: c1(n(ccn1)C)C(c1cnccc1)NCC
• Canonical SMILES: CCNC(c1nccn1C)c1cccnc1
• InChI: InChI=1S/C12H16N4/c1-3-14-11(10-5-4-6-13-9-10)12-15-7-8-16(12)2/h4-9,11,14H,3H2,1-2H3
• InChIKey: VRERQMQDZNRSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(1-methyl-1H-imidazol-2-yl)(pyridin-3-yl)methyl]amine
• IUPAC Traditional name: ethyl[(1-methylimidazol-2-yl)(pyridin-3-yl)methyl]amine
• Synonyms: ethyl[(1-methyl-1H-imidazol-2-yl)(pyridin-3-yl)methyl]amine

Database IDs

• MDL Number: MFCD14623557
• PubChem SID: 164327888
• PubChem CID: 50987975

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7443202
• LogD (pH = 7.4): 0.61163473
• Log P: 0.78553206
• Molar Refractivity: 63.4341 cm^3
• Polarizability: 24.644953 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.265

Product Information

• Purity: 95%