2-amino-N-phenylacetamide hydrochloride

• ChemBase ID: 49670
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: C(=O)(Nc1ccccc1)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccccc1.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c9-6-8(11)10-7-4-2-1-3-5-7;/h1-5H,6,9H2,(H,10,11);1H
• InChIKey: WJJKZMFCHGHFBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-phenylacetamide hydrochloride
• Synonyms: 2-Amino-N-phenylacetamide hydrochloride

Database IDs

• CAS Number: 4801-39-2
• MDL Number: MFCD00035439
• PubChem SID: 162054433
• PubChem CID: 458752

CALCULATED PROPERTIES

• Acid pKa: 13.518827
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0862317
• LogD (pH = 7.4): -0.39182588
• Log P: 0.28682634
• Molar Refractivity: 44.2807 cm^3
• Polarizability: 16.732409 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 0.25

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%