{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amine

• ChemBase ID: 118571
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n12c(ncc1CNC)cccc2
• Canonical SMILES: CNCc1cnc2n1cccc2
• InChI: InChI=1S/C9H11N3/c1-10-6-8-7-11-9-4-2-3-5-12(8)9/h2-5,7,10H,6H2,1H3
• InChIKey: BIKHBXLQYBABBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)methylamine

Database IDs

• CAS Number: 885275-83-2
• MDL Number: MFCD06739260
• PubChem SID: 162098685
• PubChem CID: 26722640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0343688
• LogD (pH = 7.4): -1.3096815
• Log P: 0.23789938
• Molar Refractivity: 49.0619 cm^3
• Polarizability: 18.496323 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.495

Product Information

• Purity: 95+%