1-(aminomethyl)naphthalen-2-ol hydrochloride

• ChemBase ID: 283046
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: c1(c2c(ccc1O)cccc2)CN.Cl
• Canonical SMILES: NCc1c(O)ccc2c1cccc2.Cl
• InChI: InChI=1S/C11H11NO.ClH/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13;/h1-6,13H,7,12H2;1H
• InChIKey: BXVMUPQYDRKWAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7523-34-4
• MDL Number: MFCD01444633
• PubChem SID: 180668577
• PubChem CID: 2752151

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

Physical Property

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): 1.551

Product Information

• Purity: 95%; 98%