2-amino-N-benzyl-2-methylpropanamide hydrochloride

• ChemBase ID: 49908
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: C(=O)(NCc1ccccc1)C(N)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)NCc1ccccc1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-11(2,12)10(14)13-8-9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3,(H,13,14);1H
• InChIKey: LWUQFUYISKBBMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562758
• PubChem SID: 162054671
• PubChem CID: 53409081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7882789
• LogD (pH = 7.4): -0.26417693
• Log P: 0.99526113
• Molar Refractivity: 56.5421 cm^3
• Polarizability: 22.272663 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.641559

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false