2,4,6-trimethoxyaniline

• ChemBase ID: 87868
• Molecular Formular: C9H13NO3
• Molecular Mass: 183.20442
• Monoisotopic Mass: 183.08954328
• SMILES: Nc1c(cc(cc1OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)OC)N
• InChI: InChI=1S/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3
• InChIKey: FNSAKXLEFPFZOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethoxyaniline
• IUPAC Traditional name: 2,4,6-trimethoxyaniline
• Synonyms: 2,4,6-Trimethoxyaniline

Database IDs

• CAS Number: 14227-17-9
• MDL Number: MFCD00017165
• PubChem SID: 162074908
• PubChem CID: 84271

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5153978
• LogD (pH = 7.4): 0.66894543
• Log P: 0.6713061
• Molar Refractivity: 50.148 cm^3
• Polarizability: 19.03961 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%