2,6-dimethoxyaniline

• ChemBase ID: 31578
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(c(OC)cccc1OC)N
• Canonical SMILES: COc1cccc(c1N)OC
• InChI: InChI=1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
• InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxyaniline
• IUPAC Traditional name: 2,6-dimethoxyaniline
• Synonyms: 2,6-Dimethoxyaniline; 2,6-Dimethoxyaniline 98%; 2,6-Dimethoxyaniline; 2,6-DiMethoxyphenylaMine; 2,6-二甲氧基苯胺

Database IDs

• CAS Number: 2734-70-5
• MDL Number: MFCD00053934
• PubChem SID: 160994885
• PubChem CID: 95940

CALCULATED PROPERTIES

• Acid pKa: 19.999077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.79065996
• LogD (pH = 7.4): 0.82847303
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.506649 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-78°C; 76-78°C

Safety Information

• Storage Warning: IRRITANT, TOXIC; Toxic/Harmful/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33
• Safety Statements: 28-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H311-H302-H332-H373
• GHS Precautionary statements: P280H-P302+P352-P309-P310

Product Information

• Purity: 97%