2-(2-aminoethoxy)naphthalene hydrochloride

• ChemBase ID: 255221
• Molecular Formular: C12H14ClNO
• Molecular Mass: 223.69866
• Monoisotopic Mass: 223.07639175
• SMILES: c12cc(ccc1cccc2)OCCN.Cl
• Canonical SMILES: NCCOc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C12H13NO.ClH/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9H,7-8,13H2;1H
• InChIKey: XOMHPJGPEMPDJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)naphthalene hydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)naphthalene hydrochloride
• Synonyms: 2-(2-naphthyloxy)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD02667729
• PubChem SID: 164311131
• PubChem CID: 17381707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9535304
• LogD (pH = 7.4): 0.15210791
• Log P: 2.0080676
• Molar Refractivity: 56.9212 cm^3
• Polarizability: 23.821844 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273 - 275°C
• Hydrophobicity(logP): 2.436

Product Information

• Purity: 95%