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

• ChemBase ID: 101538
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1(c(ncc1)CNC)c1ccccc1
• Canonical SMILES: CNCc1nccn1c1ccccc1
• InChI: InChI=1S/C11H13N3/c1-12-9-11-13-7-8-14(11)10-5-3-2-4-6-10/h2-8,12H,9H2,1H3
• InChIKey: IZYNHWOVGJNYQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1034566-07-8
• MDL Number: MFCD12198121
• PubChem SID: 162087166
• PubChem CID: 45594302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4368436
• LogD (pH = 7.4): 0.31640175
• Log P: 1.0489
• Molar Refractivity: 66.5814 cm^3
• Polarizability: 22.664005 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%