[6-(dimethylamino)naphthalen-2-yl]methanol

• ChemBase ID: 292511
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: CN(C)c1cc2c(cc1)cc(CO)cc2
• Canonical SMILES: OCc1ccc2c(c1)ccc(c2)N(C)C
• InChI: InChI=1S/C13H15NO/c1-14(2)13-6-5-11-7-10(9-15)3-4-12(11)8-13/h3-8,15H,9H2,1-2H3
• InChIKey: STMIYEWWUMTDJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(dimethylamino)naphthalen-2-yl]methanol
• IUPAC Traditional name: [6-(dimethylamino)naphthalen-2-yl]methanol
• Synonyms: (6-(Dimethylamino)naphthalen-2-yl)methanol

Database IDs

• CAS Number: 891491-99-9
• PubChem SID: 180678042
• PubChem CID: 59200868

CALCULATED PROPERTIES

• Acid pKa: 14.972316
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1820774
• LogD (pH = 7.4): 2.3016574
• Log P: 2.3034167
• Molar Refractivity: 63.7527 cm^3
• Polarizability: 25.184618 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%