4-methoxy-N-methylaniline hydrochloride

• ChemBase ID: 293241
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: CNc1ccc(OC)cc1.Cl
• Canonical SMILES: CNc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h3-6,9H,1-2H3;1H
• InChIKey: JORHJDKIZPGLHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methylaniline hydrochloride
• IUPAC Traditional name: 4-methoxy-N-methylaniline hydrochloride
• Synonyms: 4-Methoxy-N-methylaniline hydrochloride

Database IDs

• CAS Number: 10541-33-0
• MDL Number: MFCD13196471
• PubChem SID: 180678772
• PubChem CID: 18686577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.86459225
• LogD (pH = 7.4): 1.2793665
• Log P: 1.2883527
• Molar Refractivity: 42.715 cm^3
• Polarizability: 15.828431 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%