N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

• ChemBase ID: 261534
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c12c(NC(=O)C)cccc1NCCC2
• Canonical SMILES: CC(=O)Nc1cccc2c1CCCN2
• InChI: InChI=1S/C11H14N2O/c1-8(14)13-11-6-2-5-10-9(11)4-3-7-12-10/h2,5-6,12H,3-4,7H2,1H3,(H,13,14)
• InChIKey: OPCOPOQVNHAIHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• IUPAC Traditional name: N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• Synonyms: N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

Database IDs

• MDL Number: MFCD09810792
• PubChem SID: 164317444
• PubChem CID: 10081242

CALCULATED PROPERTIES

• Log P: 1.1681914
• Molar Refractivity: 59.0254 cm^3
• Polarizability: 21.063438 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.367878
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1118342
• LogD (pH = 7.4): 1.1674342

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.204

Product Information

• Purity: 95%