{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine

• ChemBase ID: 37180
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: c1c(n2c(cc1)nc(c2)CN)C
• Canonical SMILES: NCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C9H11N3/c1-7-3-2-4-9-11-8(5-10)6-12(7)9/h2-4,6H,5,10H2,1H3
• InChIKey: FLWNBGDEYAEUQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine
• IUPAC Traditional name: {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine
• Synonyms: 1-(5-methylimidazo[1,2-a]pyridin-2-yl)methanamine; [(5-Methylimidazo[1,2-a]pyridin-2-yl)methyl]amine; {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine

Database IDs

• CAS Number: 880361-80-8
• MDL Number: MFCD08669763
• PubChem SID: 161000487
• PubChem CID: 25220476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6087763
• LogD (pH = 7.4): -1.04749
• Log P: 0.16635108
• Molar Refractivity: 49.0373 cm^3
• Polarizability: 18.41777 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.857

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%