N-(4-aminophenyl)-2,2-dimethylpropanamide

• ChemBase ID: 22997
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(Nc1ccc(N)cc1)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccc(cc1)N
• InChI: InChI=1S/C11H16N2O/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
• InChIKey: CQBPZUVCJMMOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(4-aminophenyl)-2,2-dimethylpropanamide
• Synonyms: N-(4-Aminophenyl)-2,2-dimethylpropanamide

Database IDs

• CAS Number: 104478-93-5
• MDL Number: MFCD00186306
• PubChem SID: 160986304
• PubChem CID: 4059564

CALCULATED PROPERTIES

• Acid pKa: 15.517146
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.165103
• LogD (pH = 7.4): 2.1813555
• Log P: 2.1815667
• Molar Refractivity: 59.3238 cm^3
• Polarizability: 21.871117 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.171

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%