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

• ChemBase ID: 248180
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: n1(c(cnc1CNC)Cl)C
• Canonical SMILES: Cn1c(CNC)ncc1Cl
• InChI: InChI=1S/C6H10ClN3/c1-8-4-6-9-3-5(7)10(6)2/h3,8H,4H2,1-2H3
• InChIKey: IHUTUWFHKPTZTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloro-1-methyl-1H-imidazol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-chloro-1-methylimidazol-2-yl)methyl](methyl)amine
• Synonyms: [(5-chloro-1-methyl-1H-imidazol-2-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD11177435
• PubChem SID: 164304090
• PubChem CID: 43088051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2244158
• LogD (pH = 7.4): -0.5196233
• Log P: 0.029022472
• Molar Refractivity: 41.2904 cm^3
• Polarizability: 16.035608 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.103

Product Information

• Purity: 95%