4-(naphthalen-1-yloxy)aniline hydrochloride

• ChemBase ID: 20165
• Molecular Formular: C16H14ClNO
• Molecular Mass: 271.74146
• Monoisotopic Mass: 271.07639175
• SMILES: c1(Oc2ccc(N)cc2)c2c(ccc1)cccc2.Cl
• Canonical SMILES: Nc1ccc(cc1)Oc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C16H13NO.ClH/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16;/h1-11H,17H2;1H
• InChIKey: KWZCIYDQIYDKNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-1-yloxy)aniline hydrochloride
• IUPAC Traditional name: 4-(naphthalen-1-yloxy)aniline hydrochloride
• Synonyms: 4-(1-Naphthyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD12026494
• PubChem SID: 160983472
• PubChem CID: 46735577

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.600815
• LogD (pH = 7.4): 3.6336486
• Log P: 3.6340837
• Molar Refractivity: 73.4494 cm^3
• Polarizability: 29.426813 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false