4-(cyclohexyloxy)aniline hydrochloride

• ChemBase ID: 275723
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: O(c1ccc(N)cc1)C1CCCCC1.Cl
• Canonical SMILES: Nc1ccc(cc1)OC1CCCCC1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;/h6-9,11H,1-5,13H2;1H
• InChIKey: LWEGEUUBWPYKCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohexyloxy)aniline hydrochloride
• IUPAC Traditional name: 4-(cyclohexyloxy)aniline hydrochloride
• Synonyms: 4-(cyclohexyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD11858349
• PubChem SID: 164331633
• PubChem CID: 53407999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.63207
• LogD (pH = 7.4): 2.7835956
• Log P: 2.7859192
• Molar Refractivity: 58.2358 cm^3
• Polarizability: 22.47321 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 3.035

Product Information

• Purity: 95%