2-amino-3-methylbutanamide hydrochloride

• ChemBase ID: 49262
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(C(N)C(C)C)N.Cl
• Canonical SMILES: NC(C(=O)N)C(C)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H
• InChIKey: XFCNYSGKNAWXFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methylbutanamide hydrochloride
• IUPAC Traditional name: 2-amino-3-methylbutanamide hydrochloride
• Synonyms: 2-Amino-3-methylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD13562354
• PubChem SID: 162054025
• PubChem CID: 13689584

CALCULATED PROPERTIES

• Acid pKa: 16.633099
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2248063
• LogD (pH = 7.4): -1.6460075
• Log P: -0.4981587
• Molar Refractivity: 31.3151 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): -0.634

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%