4-(2-amino-2-methylpropyl)-N,N-dimethylaniline

• ChemBase ID: 804240
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(c1ccc(cc1)CC(C)(C)N)(C)C
• Canonical SMILES: CN(c1ccc(cc1)CC(N)(C)C)C
• InChI: InChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3
• InChIKey: SLWRLIARNTYBCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
• Synonyms: 4-(2-AMINO-2-METHYLPROPYL)-N,N-DIMETHYLANILINE

Database IDs

• CAS Number: 67510-94-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.99458236
• LogD (pH = 7.4): -0.48337543
• Log P: 2.192871
• Molar Refractivity: 62.772 cm^3
• Polarizability: 24.010256 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%