4-tert-butyl-2,6-dimethylaniline

• ChemBase ID: 84187
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: Nc1c(cc(cc1C)C(C)(C)C)C
• Canonical SMILES: Nc1c(C)cc(cc1C)C(C)(C)C
• InChI: InChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
• InChIKey: CHHGWEBJQVWINZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl-2,6-dimethylaniline
• IUPAC Traditional name: 4-tert-butyl-2,6-dimethylaniline
• Synonyms: 4-tert-Butyl-2,6-dimethylaniline; 4-(tert-butyl)-2,6-dimethylaniline

Database IDs

• CAS Number: 42014-60-8
• MDL Number: MFCD00052181
• PubChem SID: 162071303
• PubChem CID: 1229697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.677131
• LogD (pH = 7.4): 3.715704
• Log P: 3.716219
• Molar Refractivity: 59.5067 cm^3
• Polarizability: 22.33216 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%