4-(methylamino)benzamide hydrochloride

• ChemBase ID: 261614
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: C(=O)(c1ccc(NC)cc1)N.Cl
• Canonical SMILES: CNc1ccc(cc1)C(=O)N.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c1-10-7-4-2-6(3-5-7)8(9)11;/h2-5,10H,1H3,(H2,9,11);1H
• InChIKey: ZGUPXKGUXGXVDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methylamino)benzamide hydrochloride
• IUPAC Traditional name: 4-(methylamino)benzamide hydrochloride
• Synonyms: 4-(methylamino)benzamide hydrochloride

Database IDs

• MDL Number: MFCD12912937
• PubChem SID: 164317524
• PubChem CID: 45791848

CALCULATED PROPERTIES

• Acid pKa: 15.303433
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.29062513
• LogD (pH = 7.4): 0.29658768
• Log P: 0.29666424
• Molar Refractivity: 45.3302 cm^3
• Polarizability: 16.139837 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.5

Product Information

• Purity: 95%