2-amino-N-(2-methylpropyl)acetamide hydrochloride

• ChemBase ID: 49462
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(NCC(C)C)CN.Cl
• Canonical SMILES: NCC(=O)NCC(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-5(2)4-8-6(9)3-7;/h5H,3-4,7H2,1-2H3,(H,8,9);1H
• InChIKey: HFGQYMMDVUJKBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methylpropyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-methylpropyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(2-methylpropyl)acetamide hydrochloride; 2-Amino-N-isobutylacetamide hydrochloride

Database IDs

• MDL Number: MFCD13562468
• PubChem SID: 162054225
• PubChem CID: 19700375

CALCULATED PROPERTIES

• Acid pKa: 16.171251
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9794855
• LogD (pH = 7.4): -1.2963235
• Log P: -0.48643893
• Molar Refractivity: 36.4665 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): -0.148

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%