2-amino-2-phenylpropanamide

• ChemBase ID: 238418
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(C(=O)N)(c1ccccc1)(N)C
• Canonical SMILES: NC(=O)C(c1ccccc1)(N)C
• InChI: InChI=1S/C9H12N2O/c1-9(11,8(10)12)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H2,10,12)
• InChIKey: HGKUPDZBTAQFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-phenylpropanamide
• IUPAC Traditional name: 2-amino-2-phenylpropanamide
• Synonyms: 2-amino-2-phenylpropanamide

Database IDs

• MDL Number: MFCD02065484
• PubChem SID: 164294328
• PubChem CID: 3666753

CALCULATED PROPERTIES

• Acid pKa: 16.141775
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.971972
• LogD (pH = 7.4): -0.277833
• Log P: 0.41477713
• Molar Refractivity: 46.8968 cm^3
• Polarizability: 18.582382 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -0.085

Product Information

• Purity: 95%