2,3-dimethoxyaniline

• ChemBase ID: 37167
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(c(N)cccc1OC)OC
• Canonical SMILES: COc1c(OC)cccc1N
• InChI: InChI=1S/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3
• InChIKey: HEZIOZBMPKPOER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxyaniline
• IUPAC Traditional name: 2,3-dimethoxyaniline
• Synonyms: (2,3-Dimethoxyphenyl)amine

Database IDs

• CAS Number: 6299-67-8
• MDL Number: MFCD00180769
• PubChem SID: 161000474
• PubChem CID: 239603

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8140581
• LogD (pH = 7.4): 0.82878625
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.507187 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false