(6-aminonaphthalen-2-yl)methanol

• ChemBase ID: 804777
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: C(O)c1ccc2c(c1)ccc(c2)N
• Canonical SMILES: OCc1ccc2c(c1)ccc(c2)N
• InChI: InChI=1S/C11H11NO/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-6,13H,7,12H2
• InChIKey: CZPGEXFVAUMAID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-aminonaphthalen-2-yl)methanol
• IUPAC Traditional name: (6-aminonaphthalen-2-yl)methanol
• Synonyms: (2-AMINONAPHTHALEN-6-YL)METHANOL

Database IDs

• CAS Number: 393522-70-8

CALCULATED PROPERTIES

• Acid pKa: 14.972829
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3480934
• LogD (pH = 7.4): 1.3662108
• Log P: 1.3664469
• Molar Refractivity: 54.0245 cm^3
• Polarizability: 21.491915 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%