2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethan-1-amine

• ChemBase ID: 114710
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: c12n(cc(n1)CCN)ccc(c2)C
• Canonical SMILES: NCCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C10H13N3/c1-8-3-5-13-7-9(2-4-11)12-10(13)6-8/h3,5-7H,2,4,11H2,1H3
• InChIKey: TWYXSGQQQHPFSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethanamine
• Synonyms: [2-(7-Methylimidazo[1,2-a]pyridin-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD07636858
• PubChem SID: 162099651
• PubChem CID: 7061895

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8178332
• LogD (pH = 7.4): -1.4151828
• Log P: 0.7172239
• Molar Refractivity: 53.6282 cm^3
• Polarizability: 20.187275 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.102

Product Information

• Purity: 95+%