N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide

• ChemBase ID: 262182
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c12c(NC(=O)C)cccc2CCCN1
• Canonical SMILES: CC(=O)Nc1cccc2c1NCCC2
• InChI: InChI=1S/C11H14N2O/c1-8(14)13-10-6-2-4-9-5-3-7-12-11(9)10/h2,4,6,12H,3,5,7H2,1H3,(H,13,14)
• InChIKey: KTHDNHNPVDWPBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide
• IUPAC Traditional name: N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide
• Synonyms: N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide

Database IDs

• MDL Number: MFCD09810630
• PubChem SID: 164318092
• PubChem CID: 21894659

CALCULATED PROPERTIES

• Acid pKa: 14.102828
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.141497
• LogD (pH = 7.4): 1.1678449
• Log P: 1.1681914
• Molar Refractivity: 59.0254 cm^3
• Polarizability: 21.063536 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 1.204

Product Information

• Purity: 95%