1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one

• ChemBase ID: 159152
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c12c(ccc(c1)C(=O)C)cc(cc2)N(C)C
• Canonical SMILES: CN(c1ccc2c(c1)ccc(c2)C(=O)C)C
• InChI: InChI=1S/C14H15NO/c1-10(16)11-4-5-13-9-14(15(2)3)7-6-12(13)8-11/h4-9H,1-3H3
• InChIKey: FUVQYVZTQJOEQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one
• IUPAC Traditional name: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone
• Synonyms: 1-[6-(Dimethylamino)-2-naphthalenyl]-ethanone; 1-(6-Dimethylaminonaphthalen-2-yl)ethanone; Acdan; Acedan; 2-Acetyl-6-(dimethylamino)naphthalene

Database IDs

• CAS Number: 68520-00-3
• PubChem SID: 162253287
• PubChem CID: 15333970

CALCULATED PROPERTIES

• Acid pKa: 16.029919
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5188954
• LogD (pH = 7.4): 2.6268482
• Log P: 2.628414
• Molar Refractivity: 67.3396 cm^3
• Polarizability: 26.464794 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow Crystalline Solid

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - A168445

Naphthalene derivative.