2-amino-2-phenylacetamide

• ChemBase ID: 252504
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(C(c1ccccc1)N)N
• Canonical SMILES: NC(c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)
• InChIKey: KIYRSYYOVDHSPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-phenylacetamide
• IUPAC Traditional name: acetamide, 2-amino-2-phenyl-
• Synonyms: 2-amino-2-phenylacetamide

Database IDs

• CAS Number: 700-63-0
• MDL Number: MFCD00025498
• PubChem SID: 164308414
• PubChem CID: 12791

CALCULATED PROPERTIES

• Acid pKa: 16.122173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2010598
• LogD (pH = 7.4): -0.5249433
• Log P: -0.017988766
• Molar Refractivity: 42.1835 cm^3
• Polarizability: 16.739655 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -0.394

Product Information

• Purity: 95%; 95+%