2-amino-N-methyl-2-phenylacetamide

• ChemBase ID: 71385
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(C(c1ccccc1)N)NC
• Canonical SMILES: CNC(=O)C(c1ccccc1)N
• InChI: InChI=1S/C9H12N2O/c1-11-9(12)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3,(H,11,12)
• InChIKey: YEKJABDQUZLZOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 93782-07-1
• MDL Number: MFCD09948081
• PubChem SID: 162036975
• PubChem CID: 14584872

CALCULATED PROPERTIES

• Acid pKa: 15.7558775
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.971498
• LogD (pH = 7.4): -0.29654604
• Log P: 0.2056873
• Molar Refractivity: 47.0802 cm^3
• Polarizability: 18.582827 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil
• Hydrophobicity(logP): 0.0080

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 90%; 95%