2-amino-N-(4-bromophenyl)acetamide hydrochloride

• ChemBase ID: 260440
• Molecular Formular: C8H10BrClN2O
• Molecular Mass: 265.5348
• Monoisotopic Mass: 263.96650263
• SMILES: C(=O)(Nc1ccc(Br)cc1)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)Br.Cl
• InChI: InChI=1S/C8H9BrN2O.ClH/c9-6-1-3-7(4-2-6)11-8(12)5-10;/h1-4H,5,10H2,(H,11,12);1H
• InChIKey: RSRMNANEVNSSPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-bromophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(4-bromophenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(4-bromophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD12197204
• PubChem SID: 164316350
• PubChem CID: 45791583

CALCULATED PROPERTIES

• Acid pKa: 13.464095
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.317479
• LogD (pH = 7.4): 0.3769261
• Log P: 1.055579
• Molar Refractivity: 51.9035 cm^3
• Polarizability: 19.562548 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245 - 247°C
• Hydrophobicity(logP): 1.371

Product Information

• Purity: 95%