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

• ChemBase ID: 32204
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(N(C)C)Cc1ccc(N)cc1
• Canonical SMILES: CN(C(=O)Cc1ccc(cc1)N)C
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7,11H2,1-2H3
• InChIKey: HKWHCRLGBUCCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 81709-36-6
• MDL Number: MFCD09734229
• PubChem SID: 160995511
• PubChem CID: 12805227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.39008695
• LogD (pH = 7.4): 0.42205432
• Log P: 0.42247766
• Molar Refractivity: 53.6816 cm^3
• Polarizability: 20.038902 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): -0.261

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%