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

• ChemBase ID: 50034
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(Nc1ccc(cc1)OC)CNC.Cl
• Canonical SMILES: CNCC(=O)Nc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-11-7-10(13)12-8-3-5-9(14-2)6-4-8;/h3-6,11H,7H2,1-2H3,(H,12,13);1H
• InChIKey: IQXXRZBWXKDGTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-(methylamino)acetamide hydrochloride
• Synonyms: N-(4-Methoxyphenyl)-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447241
• PubChem SID: 162054797
• PubChem CID: 43810405

CALCULATED PROPERTIES

• Acid pKa: 13.998851
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2379458
• LogD (pH = 7.4): -0.56244326
• Log P: 0.56173545
• Molar Refractivity: 55.5185 cm^3
• Polarizability: 21.09207 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 0.667

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl