4-methoxy-N-(4-methoxyphenyl)aniline

• ChemBase ID: 301887
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: COc1ccc(cc1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Nc1ccc(cc1)OC
• InChI: InChI=1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3
• InChIKey: VCOONNWIINSFBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(4-methoxyphenyl)aniline
• IUPAC Traditional name: 4-methoxy-N-(4-methoxyphenyl)aniline
• Synonyms: 4,4'-Dimethoxydiphenylamine; 4,4'-二甲氧基二苯基胺

Database IDs

• CAS Number: 101-70-2
• EC Number: 202-968-1
• MDL Number: MFCD00014895
• Beilstein Number: 2214262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0968158
• LogD (pH = 7.4): 3.0978162
• Log P: 3.097829
• Molar Refractivity: 67.4706 cm^3
• Polarizability: 26.098707 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-104°C

Safety Information

• Storage Warning: Air Sensitive
• RTECS: DU9085000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H303
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%