2-(2-aminoethoxy)naphthalene

• ChemBase ID: 250647
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c12cc(ccc1cccc2)OCCN
• Canonical SMILES: NCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H13NO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,13H2
• InChIKey: NGOMYFUIWZJUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23314-24-1
• MDL Number: MFCD02598963
• PubChem SID: 164306557
• PubChem CID: 2794245

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: 29 - 31°C
• Hydrophobicity(logP): 2.436

Product Information

• Purity: 95%