({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine

• ChemBase ID: 42484
• Molecular Formular: C10H12ClN3
• Molecular Mass: 209.67538
• Monoisotopic Mass: 209.07197508
• SMILES: n12c(cnc1ccc(c2)Cl)CN(C)C
• Canonical SMILES: CN(Cc1cnc2n1cc(Cl)cc2)C
• InChI: InChI=1S/C10H12ClN3/c1-13(2)7-9-5-12-10-4-3-8(11)6-14(9)10/h3-6H,7H2,1-2H3
• InChIKey: ZIRURUMISQLJOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine
• IUPAC Traditional name: ({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine
• Synonyms: (6-Chloroimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine; N-[(6-Chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N,N-dimethylamine; 6-Chloro-3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD06496216
• PubChem SID: 162047247
• PubChem CID: 5260656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3380764
• LogD (pH = 7.4): 0.48285237
• Log P: 1.224992
• Molar Refractivity: 59.1614 cm^3
• Polarizability: 22.205896 Å^3
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109 °C; 107-109°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%