5-(aminomethyl)naphthalen-1-ol hydrobromide

• ChemBase ID: 246539
• Molecular Formular: C11H12BrNO
• Molecular Mass: 254.12308
• Monoisotopic Mass: 253.01022601
• SMILES: c12c(c(CN)ccc2)cccc1O.Br
• Canonical SMILES: NCc1cccc2c1cccc2O.Br
• InChI: InChI=1S/C11H11NO.BrH/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13;/h1-6,13H,7,12H2;1H
• InChIKey: WUYQARUHAZXIPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)naphthalen-1-ol hydrobromide
• IUPAC Traditional name: 5-(aminomethyl)naphthalen-1-ol hydrobromide
• Synonyms: 5-(aminomethyl)naphthalen-1-ol hydrobromide

Database IDs

• PubChem SID: 164302449
• PubChem CID: 71758020

CALCULATED PROPERTIES

• Acid pKa: 9.3121605
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2127962
• LogD (pH = 7.4): -0.36371505
• Log P: 1.1240048
• Molar Refractivity: 52.9625 cm^3
• Polarizability: 21.898056 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.601

Product Information

• Purity: 95%