(2S)-2-aminobutanamide hydrochloride

• ChemBase ID: 796347
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: Cl.C(=O)([C@H](CC)N)N
• Canonical SMILES: CC[C@@H](C(=O)N)N.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1
• InChIKey: HDBMIDJFXOYCGK-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminobutanamide hydrochloride
• IUPAC Traditional name: (2S)-2-aminobutanamide hydrochloride
• Synonyms: (S)-2-AMino butanaMide HCl; L-2-Aminobutanamide hydrochloride

Database IDs

• CAS Number: 7682-20-4

CALCULATED PROPERTIES

• Acid pKa: 16.56526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5550458
• LogD (pH = 7.4): -1.9505231
• Log P: -0.8631315
• Molar Refractivity: 26.8435 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%