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

• ChemBase ID: 307347
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: c1(n(ccn1)C)CNCC
• Canonical SMILES: CCNCc1nccn1C
• InChI: InChI=1S/C7H13N3/c1-3-8-6-7-9-4-5-10(7)2/h4-5,8H,3,6H2,1-2H3
• InChIKey: FZEVGHJNAKWZTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 642075-18-1
• MDL Number: MFCD06740589

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.298098
• LogD (pH = 7.4): -0.6490931
• Log P: 0.0667751
• Molar Refractivity: 41.2331 cm^3
• Polarizability: 15.950205 Å^3
• Polar Surface Area: 29.85 Å^2

PROPERTIES

Product Information

• Purity: 98%