2-amino-N-(2-ethylphenyl)acetamide hydrochloride

• ChemBase ID: 234500
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: N(c1c(CC)cccc1)C(=O)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccccc1CC.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-2-8-5-3-4-6-9(8)12-10(13)7-11;/h3-6H,2,7,11H2,1H3,(H,12,13);1H
• InChIKey: WVXCEQHKNMJUFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-ethylphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-ethylphenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(2-ethylphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD07287720
• PubChem SID: 164290410
• PubChem CID: 16245612

CALCULATED PROPERTIES

• Acid pKa: 13.592423
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1282387
• LogD (pH = 7.4): 0.5661684
• Log P: 1.2448164
• Molar Refractivity: 53.9229 cm^3
• Polarizability: 20.340738 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.408

Product Information

• Purity: 95%
• Salt Data: HCl