(2S)-2-amino-N-(2-hydroxyethyl)propanamide hydrochloride

• ChemBase ID: 237263
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)([C@@H](N)C)NCCO.Cl
• Canonical SMILES: C[C@@H](C(=O)NCCO)N.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-4(6)5(9)7-2-3-8;/h4,8H,2-3,6H2,1H3,(H,7,9);1H/t4-;/m0./s1
• InChIKey: FBYIXZBYKFAMBX-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-(2-hydroxyethyl)propanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-N-(2-hydroxyethyl)propanamide hydrochloride
• Synonyms: (2S)-2-amino-N-(2-hydroxyethyl)propanamide hydrochloride

Database IDs

• MDL Number: MFCD22369923
• PubChem SID: 164293173
• PubChem CID: 71755901

CALCULATED PROPERTIES

• Acid pKa: 15.293282
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.506383
• LogD (pH = 7.4): -2.8790615
• Log P: -1.8520799
• Molar Refractivity: 33.5085 cm^3
• Polarizability: 13.33517 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): -1.623

Product Information

• Purity: 95%