{imidazo[1,2-a]pyridin-6-ylmethyl}(methyl)amine

• ChemBase ID: 88019
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1c2n(cc(cc2)CNC)cc1
• Canonical SMILES: CNCc1ccc2n(c1)ccn2
• InChI: InChI=1S/C9H11N3/c1-10-6-8-2-3-9-11-4-5-12(9)7-8/h2-5,7,10H,6H2,1H3
• InChIKey: VTAYGJSBPFKWJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-6-ylmethyl}(methyl)amine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-6-ylmethyl}(methyl)amine
• Synonyms: N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methylamine; N-(Imidazo[1,2-a]pyridin-6-ylmethyl)-N-methylamine 97%

Database IDs

• CAS Number: 864068-82-6
• MDL Number: MFCD08271888
• PubChem SID: 162075059
• PubChem CID: 7537497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.477447
• LogD (pH = 7.4): -1.6046206
• Log P: 0.31789824
• Molar Refractivity: 49.1844 cm^3
• Polarizability: 18.495584 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%