2-(quinolin-2-yl)ethan-1-amine

• ChemBase ID: 265074
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: n1c2c(ccc1CCN)cccc2
• Canonical SMILES: NCCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C11H12N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8,12H2
• InChIKey: ANBAULJARIYBIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(quinolin-2-yl)ethanamine
• Synonyms: 2-(quinolin-2-yl)ethan-1-amine

Database IDs

• CAS Number: 104037-38-9
• MDL Number: MFCD08448930
• PubChem SID: 164320984
• PubChem CID: 10176322

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4258534
• LogD (pH = 7.4): -0.57617396
• Log P: 1.5751536
• Molar Refractivity: 52.6299 cm^3
• Polarizability: 22.190556 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.32

Product Information

• Purity: 95%; 98%