1-aminonaphthalen-2-ol

• ChemBase ID: 78479
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: Nc1c(ccc2ccccc12)O
• Canonical SMILES: Oc1ccc2c(c1N)cccc2
• InChI: InChI=1S/C10H9NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H,11H2
• InChIKey: FHMMQQXRSYSWCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminonaphthalen-2-ol
• IUPAC Traditional name: 1-aminonaphthalen-2-ol
• Synonyms: 1-aminonaphthalen-2-ol; 1-Amino-2-naphthol

Database IDs

• CAS Number: 2834-92-6
• MDL Number: MFCD00628991
• PubChem SID: 162043246
• PubChem CID: 14535

CALCULATED PROPERTIES

• Acid pKa: 10.127268
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8109019
• LogD (pH = 7.4): 1.8291221
• Log P: 1.8302313
• Molar Refractivity: 49.1895 cm^3
• Polarizability: 19.637577 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true