1-(2-aminoethoxy)naphthalene hydrochloride

• ChemBase ID: 261035
• Molecular Formular: C12H14ClNO
• Molecular Mass: 223.69866
• Monoisotopic Mass: 223.07639175
• SMILES: c12c(OCCN)cccc1cccc2.Cl
• Canonical SMILES: NCCOc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C12H13NO.ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;/h1-7H,8-9,13H2;1H
• InChIKey: CODYKVATHUKKJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)naphthalene hydrochloride
• IUPAC Traditional name: 1-(2-aminoethoxy)naphthalene hydrochloride
• Synonyms: 1-(2-aminoethoxy)naphthalene hydrochloride

Database IDs

• MDL Number: MFCD02980513
• PubChem SID: 164316945
• PubChem CID: 14519852

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9535281
• LogD (pH = 7.4): 0.15212162
• Log P: 2.0080676
• Molar Refractivity: 56.9212 cm^3
• Polarizability: 23.825874 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): 2.436

Product Information

• Purity: 95%