4-ethoxyaniline hydrochloride

• ChemBase ID: 110852
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Cl.CCOc1ccc(N)cc1
• Canonical SMILES: CCOc1ccc(cc1)N.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-2-10-8-5-3-7(9)4-6-8;/h3-6H,2,9H2,1H3;1H
• InChIKey: JVWYCUBGJVOEIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxyaniline hydrochloride
• IUPAC Traditional name: P-ethoxyaniline hydrochloride
• Synonyms: m-PHENETIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 637-56-9
• PubChem SID: 162096521
• PubChem CID: 69478

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1914701
• LogD (pH = 7.4): 1.3411663
• Log P: 1.3434565
• Molar Refractivity: 41.9702 cm^3
• Polarizability: 15.829006 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216577

MP Biomedicals Rare Chemical collection