2-(methylamino)-N-(4-methylphenyl)acetamide hydrochloride

• ChemBase ID: 49880
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(Nc1ccc(cc1)C)CNC.Cl
• Canonical SMILES: CNCC(=O)Nc1ccc(cc1)C.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-8-3-5-9(6-4-8)12-10(13)7-11-2;/h3-6,11H,7H2,1-2H3,(H,12,13);1H
• InChIKey: CYSZMVVRIHNMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(4-methylphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)-N-(4-methylphenyl)acetamide hydrochloride
• Synonyms: 2-(Methylamino)-N-(4-methylphenyl)acetamide hydrochloride

Database IDs

• CAS Number: 64642-17-7
• MDL Number: MFCD08445327
• PubChem SID: 162054643
• PubChem CID: 20847947

CALCULATED PROPERTIES

• Acid pKa: 13.814968
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5643797
• LogD (pH = 7.4): 0.11219935
• Log P: 1.2328281
• Molar Refractivity: 54.0965 cm^3
• Polarizability: 20.340582 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273 - 275°C
• Hydrophobicity(logP): 1.09

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl