3,4-dimethoxy-N-methylaniline hydrochloride

• ChemBase ID: 264061
• Molecular Formular: C9H14ClNO2
• Molecular Mass: 203.66596
• Monoisotopic Mass: 203.07130637
• SMILES: c1(cc(NC)ccc1OC)OC.Cl
• Canonical SMILES: COc1cc(NC)ccc1OC.Cl
• InChI: InChI=1S/C9H13NO2.ClH/c1-10-7-4-5-8(11-2)9(6-7)12-3;/h4-6,10H,1-3H3;1H
• InChIKey: FAZWPAGYJNRALY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxy-N-methylaniline hydrochloride
• IUPAC Traditional name: 3,4-dimethoxy-N-methylaniline hydrochloride
• Synonyms: 3,4-dimethoxy-N-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD13196241
• PubChem SID: 164319971
• PubChem CID: 45792485

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90957236
• LogD (pH = 7.4): 1.1270604
• Log P: 1.1306814
• Molar Refractivity: 49.1782 cm^3
• Polarizability: 18.344027 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 1.428

Product Information

• Purity: 95%