1-(aminomethyl)naphthalen-2-ol

• ChemBase ID: 806316
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1cc2c(cc1)ccc(c2CN)O
• Canonical SMILES: NCc1c(O)ccc2c1cccc2
• InChI: InChI=1S/C11H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,13H,7,12H2
• InChIKey: KAGRCSIJBVBXLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)naphthalen-2-ol
• IUPAC Traditional name: 1-(aminomethyl)naphthalen-2-ol
• Synonyms: 1-AMINOMETHYL-NAPHTHALEN-2-OL

Database IDs

• CAS Number: 5386-23-2

CALCULATED PROPERTIES

• Acid pKa: 8.123812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1287893
• LogD (pH = 7.4): 0.09798529
• Log P: 0.8158266
• Molar Refractivity: 52.9625 cm^3
• Polarizability: 21.89436 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%