2-(quinolin-8-yl)ethan-1-amine

• ChemBase ID: 253148
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12ncccc2cccc1CCN
• Canonical SMILES: NCCc1cccc2c1nccc2
• InChI: InChI=1S/C11H12N2/c12-7-6-10-4-1-3-9-5-2-8-13-11(9)10/h1-5,8H,6-7,12H2
• InChIKey: AWLDVDHLEXTALM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-8-yl)ethan-1-amine
• IUPAC Traditional name: 2-(quinolin-8-yl)ethanamine
• Synonyms: 2-quinolin-8-ylethanamine

Database IDs

• CAS Number: 910381-50-9
• MDL Number: MFCD08449131
• PubChem SID: 164309058
• PubChem CID: 16227652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4582428
• LogD (pH = 7.4): -0.6606027
• Log P: 1.5453302
• Molar Refractivity: 53.2077 cm^3
• Polarizability: 22.191732 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%