N-(3-amino-2,6-dimethylphenyl)acetamide hydrochloride

• ChemBase ID: 261566
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: c1(c(c(ccc1C)N)C)NC(=O)C.Cl
• Canonical SMILES: CC(=O)Nc1c(C)ccc(c1C)N.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-6-4-5-9(11)7(2)10(6)12-8(3)13;/h4-5H,11H2,1-3H3,(H,12,13);1H
• InChIKey: OLBHDKBIMWJSNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-2,6-dimethylphenyl)acetamide hydrochloride
• IUPAC Traditional name: N-(3-amino-2,6-dimethylphenyl)acetamide hydrochloride
• Synonyms: N-(3-amino-2,6-dimethylphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD12912925
• PubChem SID: 164317476
• PubChem CID: 45791834

CALCULATED PROPERTIES

• Acid pKa: 14.596155
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.379248
• LogD (pH = 7.4): 1.4084871
• Log P: 1.408873
• Molar Refractivity: 55.7038 cm^3
• Polarizability: 19.874699 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): -0.418

Product Information

• Purity: 95%