2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-amine

• ChemBase ID: 255033
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c2n(cc1CCN)CCCC2
• Canonical SMILES: NCCc1nc2n(c1)CCCC2
• InChI: InChI=1S/C9H15N3/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h7H,1-6,10H2
• InChIKey: MYXOWMNBLNAPGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethanamine
• Synonyms: 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine

Database IDs

• MDL Number: MFCD09971385
• PubChem SID: 164310943
• PubChem CID: 21522447

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5815
• LogD (pH = 7.4): -1.857241
• Log P: 0.31734127
• Molar Refractivity: 48.4971 cm^3
• Polarizability: 18.750946 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.109

Product Information

• Purity: 95%