2-(methylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride

• ChemBase ID: 235397
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: c1(NC(=O)CNC)c(cc(cc1C)C)C.Cl
• Canonical SMILES: CNCC(=O)Nc1c(C)cc(cc1C)C.Cl
• InChI: InChI=1S/C12H18N2O.ClH/c1-8-5-9(2)12(10(3)6-8)14-11(15)7-13-4;/h5-6,13H,7H2,1-4H3,(H,14,15);1H
• InChIKey: FJUZJBFLAKYJEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
• Synonyms: N-mesityl-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD07288192
• PubChem SID: 164291307
• PubChem CID: 16245022

CALCULATED PROPERTIES

• Acid pKa: 14.156529
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.55089223
• LogD (pH = 7.4): 1.1197017
• Log P: 2.259671
• Molar Refractivity: 64.1789 cm^3
• Polarizability: 23.872908 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 0.788

Product Information

• Purity: 95%
• Salt Data: HCl