(2S)-2-amino-3-hydroxypropanoic acid hydrochloride

• ChemBase ID: 157772
• Molecular Formular: C3H8ClNO3
• Molecular Mass: 141.55352
• Monoisotopic Mass: 141.0192708
• SMILES: C([C@@H](C(=O)O)N)O.Cl
• Canonical SMILES: OC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C3H7NO3.ClH/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);1H/t2-;/m0./s1
• InChIKey: STMOVTSFWYRCOB-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-hydroxypropanoic acid hydrochloride
• IUPAC Traditional name: L-serine hydrochloride
• Synonyms: L-Serine hydrochloride solution; L-丝氨酸盐酸盐 溶液

Database IDs

• CAS Number: 16428-75-4
• MDL Number: MFCD03791087
• Beilstein Number: 3984536
• PubChem SID: 162251909; 24882094
• PubChem CID: 12219627

CALCULATED PROPERTIES

• Acid pKa: 2.03399
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8875728
• LogD (pH = 7.4): -3.8992038
• Log P: -3.8877351
• Molar Refractivity: 22.041 cm^3
• Polarizability: 9.0643015 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• UN Number: 1789
• German water hazard class: nwg
• Hazard Class: 8
• Packing Group: 3
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 1789 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 mM amino acid in 0.1 M HCl
• Grade: analytical standard
• Empirical Formula (Hill Notation): C3H7NO3 · HCl