2-amino-N-(butan-2-yl)propanamide

• ChemBase ID: 265210
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(NC(CC)C)C(N)C
• Canonical SMILES: CCC(NC(=O)C(N)C)C
• InChI: InChI=1S/C7H16N2O/c1-4-5(2)9-7(10)6(3)8/h5-6H,4,8H2,1-3H3,(H,9,10)
• InChIKey: MZBPIBHKPQRGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(butan-2-yl)propanamide
• IUPAC Traditional name: 2-amino-N-(sec-butyl)propanamide
• Synonyms: 2-amino-N-(butan-2-yl)propanamide

Database IDs

• MDL Number: MFCD09937270
• PubChem SID: 164321120
• PubChem CID: 24698437

CALCULATED PROPERTIES

• Acid pKa: 16.061625
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.520218
• LogD (pH = 7.4): -0.89280957
• Log P: 0.13392751
• Molar Refractivity: 40.9076 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.071

Product Information

• Purity: 95%