2,4,6-triethylaniline

• ChemBase ID: 310665
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(c(cc(cc1CC)CC)CC)N
• Canonical SMILES: CCc1cc(CC)c(c(c1)CC)N
• InChI: InChI=1S/C12H19N/c1-4-9-7-10(5-2)12(13)11(6-3)8-9/h7-8H,4-6,13H2,1-3H3
• InChIKey: QJWHZMGVPAUALF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-triethylaniline
• IUPAC Traditional name: 2,4,6-triethylaniline
• Synonyms: (2,4,6-triethylphenyl)amine

Database IDs

• CAS Number: 19779-32-9
• MDL Number: MFCD00561929

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9827366
• LogD (pH = 7.4): 4.0178237
• Log P: 4.01829
• Molar Refractivity: 59.685 cm^3
• Polarizability: 22.332186 Å^3
• Polar Surface Area: 26.02 Å^2