2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 260862
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: N(C1c2c(CCC1)cccc2)C(=O)CO
• Canonical SMILES: OCC(=O)NC1CCCc2c1cccc2
• InChI: InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)
• InChIKey: BBTOVZWCAMQWRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08443348
• PubChem SID: 164316772
• PubChem CID: 16770079

CALCULATED PROPERTIES

• Acid pKa: 13.417414
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0894057
• LogD (pH = 7.4): 1.0894053
• Log P: 1.0894057
• Molar Refractivity: 57.8592 cm^3
• Polarizability: 22.393993 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 1.57

Product Information

• Purity: 95%