3-(3-aminophenyl)-N,N-dimethylpropanamide

• ChemBase ID: 308632
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(N(C)C)CCc1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)CCC(=O)N(C)C
• InChI: InChI=1S/C11H16N2O/c1-13(2)11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,6-7,12H2,1-2H3
• InChIKey: OQDPTRNSTPXVDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminophenyl)-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-(3-aminophenyl)-N,N-dimethylpropanamide
• Synonyms: 3-(3-aminophenyl)-N,N-dimethylpropanamide

Database IDs

• CAS Number: 215949-67-0
• MDL Number: MFCD10022147

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83537984
• LogD (pH = 7.4): 0.8666328
• Log P: 0.86704636
• Molar Refractivity: 58.2826 cm^3
• Polarizability: 21.883064 Å^3
• Polar Surface Area: 46.33 Å^2