3-(dimethylamino)benzamide

• ChemBase ID: 293033
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: CN(C)c1cccc(c1)C(=O)N
• Canonical SMILES: CN(c1cccc(c1)C(=O)N)C
• InChI: InChI=1S/C9H12N2O/c1-11(2)8-5-3-4-7(6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
• InChIKey: OAGBEOHRGRUDEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)benzamide
• IUPAC Traditional name: M-dimethylaminobenzamide
• Synonyms: 3-(Dimethylamino)benzamide

Database IDs

• CAS Number: 33225-17-1
• PubChem SID: 180678564
• PubChem CID: 2758498

CALCULATED PROPERTIES

• Acid pKa: 14.670129
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9242033
• LogD (pH = 7.4): 0.93183184
• Log P: 0.93192995
• Molar Refractivity: 49.565 cm^3
• Polarizability: 17.979853 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%