2-amino-2-methyl-N-phenylpropanamide hydrochloride

• ChemBase ID: 49675
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(Nc1ccccc1)C(N)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)Nc1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-10(2,11)9(13)12-8-6-4-3-5-7-8;/h3-7H,11H2,1-2H3,(H,12,13);1H
• InChIKey: PHBWTIXAZQCHMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562611
• PubChem SID: 162054438
• PubChem CID: 53409029

CALCULATED PROPERTIES

• Acid pKa: 13.260908
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.417683
• LogD (pH = 7.4): 0.17695509
• Log P: 1.2883564
• Molar Refractivity: 53.4879 cm^3
• Polarizability: 20.419283 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false