4-(dimethylamino)benzamide

• ChemBase ID: 271537
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(c1ccc(N(C)C)cc1)N
• Canonical SMILES: CN(c1ccc(cc1)C(=O)N)C
• InChI: InChI=1S/C9H12N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
• InChIKey: NWIDZTRKSULSGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)benzamide
• IUPAC Traditional name: P-dimethylaminobenzamide
• Synonyms: 4-(dimethylamino)benzamide

Database IDs

• CAS Number: 6083-47-2
• MDL Number: MFCD01216782
• PubChem SID: 164327447
• PubChem CID: 596365

CALCULATED PROPERTIES

• Acid pKa: 15.278957
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9274684
• LogD (pH = 7.4): 0.9318735
• Log P: 0.93192995
• Molar Refractivity: 49.565 cm^3
• Polarizability: 17.979025 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 1.015

Product Information

• Purity: 95%; 95+%