(3-aminonaphthalen-2-yl)methanol

• ChemBase ID: 290373
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: OCc1c(N)cc2ccccc2c1
• Canonical SMILES: OCc1cc2ccccc2cc1N
• InChI: InChI=1S/C11H11NO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6,13H,7,12H2
• InChIKey: JISDTJXWUKAFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminonaphthalen-2-yl)methanol
• IUPAC Traditional name: (3-aminonaphthalen-2-yl)methanol
• Synonyms: (3-Aminonaphthalen-2-yl)methanol

Database IDs

• CAS Number: 141281-58-5
• PubChem SID: 180675904
• PubChem CID: 10374898

CALCULATED PROPERTIES

• Acid pKa: 14.925402
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3641027
• LogD (pH = 7.4): 1.3664173
• Log P: 1.3664469
• Molar Refractivity: 54.0245 cm^3
• Polarizability: 21.492304 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%