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

• ChemBase ID: 254636
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: c1(NC(=O)CN)c(c(ccc1)C)C.Cl
• Canonical SMILES: Cc1c(NC(=O)CN)cccc1C.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-7-4-3-5-9(8(7)2)12-10(13)6-11;/h3-5H,6,11H2,1-2H3,(H,12,13);1H
• InChIKey: SDFZRKYWIZZTPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07287071
• PubChem SID: 164310546
• PubChem CID: 16243588

CALCULATED PROPERTIES

• Acid pKa: 13.665722
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0593861
• LogD (pH = 7.4): 0.6350219
• Log P: 1.3136691
• Molar Refractivity: 54.3631 cm^3
• Polarizability: 20.263248 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.548

Product Information

• Purity: 95%