(2S)-2-amino-4-hydroxybutanoic acid hydrochloride

• ChemBase ID: 298187
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: C(CO)[C@@H](C(=O)O)N.Cl
• Canonical SMILES: OCC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c5-3(1-2-6)4(7)8;/h3,6H,1-2,5H2,(H,7,8);1H/t3-;/m0./s1
• InChIKey: ANRLEQNQSYGXBB-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-hydroxybutanoic acid hydrochloride
• IUPAC Traditional name: L-homoserine hydrochloride
• Synonyms: (S)-2-Amino-3-methoxypropionic acid hydrochloride; O-Methyl-L-serine hydrochloride; O-甲基-L-丝氨酸盐酸盐

Database IDs

• CAS Number: 336100-47-1
• MDL Number: MFCD03840366
• PubChem SID: 180683718
• PubChem CID: 44539543

CALCULATED PROPERTIES

• Acid pKa: 2.2233198
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8276682
• LogD (pH = 7.4): -3.8344793
• Log P: -3.8277326
• Molar Refractivity: 26.9064 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-183°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%