2-amino-N-(3-ethylphenyl)acetamide hydrochloride

• ChemBase ID: 266413
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(Nc1cc(ccc1)CC)CN.Cl
• Canonical SMILES: NCC(=O)Nc1cccc(c1)CC.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-2-8-4-3-5-9(6-8)12-10(13)7-11;/h3-6H,2,7,11H2,1H3,(H,12,13);1H
• InChIKey: OQRNMZSXDVGVGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15209666
• PubChem SID: 164322323
• PubChem CID: 47002692

CALCULATED PROPERTIES

• Acid pKa: 13.521763
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1282417
• LogD (pH = 7.4): 0.56616426
• Log P: 1.2448164
• Molar Refractivity: 53.9229 cm^3
• Polarizability: 20.34016 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208 - 210°C
• Hydrophobicity(logP): 1.278

Product Information

• Purity: 95%