2-{7-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-amine

• ChemBase ID: 24547
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: c12n(ccc(c2)C)c(cn1)CCN
• Canonical SMILES: NCCc1cnc2n1ccc(c2)C
• InChI: InChI=1S/C10H13N3/c1-8-3-5-13-9(2-4-11)7-12-10(13)6-8/h3,5-7H,2,4,11H2,1H3
• InChIKey: NHRRUJYZVFEKRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-amine
• IUPAC Traditional name: 2-{7-methylimidazo[1,2-a]pyridin-3-yl}ethanamine
• Synonyms: 3-(2-aminoethyl)-7-methyl-imidazo[1,2-A]pyridine; 2-(7-Methylimidazo[1,2-a]pyridin-3-yl)ethanamine

Database IDs

• CAS Number: 171346-86-4
• MDL Number: MFCD09971796
• PubChem SID: 160987854
• PubChem CID: 28307251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4901764
• LogD (pH = 7.4): -2.027013
• Log P: 0.3787001
• Molar Refractivity: 54.1939 cm^3
• Polarizability: 20.183886 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%