2-amino-2-ethylbutanamide hydrochloride

• ChemBase ID: 266704
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(C(N)(CC)CC)N.Cl
• Canonical SMILES: CCC(C(=O)N)(CC)N.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-3-6(8,4-2)5(7)9;/h3-4,8H2,1-2H3,(H2,7,9);1H
• InChIKey: WQGGNBHDARLSSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-ethylbutanamide hydrochloride
• IUPAC Traditional name: 2-amino-2-ethylbutanamide hydrochloride
• Synonyms: 2-amino-2-ethylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD16040036
• PubChem SID: 164322614
• PubChem CID: 47002799

CALCULATED PROPERTIES

• Acid pKa: 16.63543
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7443554
• LogD (pH = 7.4): -1.2910317
• Log P: 0.092156745
• Molar Refractivity: 36.0808 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): -0.195

Product Information

• Purity: 95%