(2S)-2-aminopropanoic acid hydrochloride

• ChemBase ID: 157775
• Molecular Formular: C3H8ClNO2
• Molecular Mass: 125.55412
• Monoisotopic Mass: 125.02435618
• SMILES: C[C@@H](C(=O)O)N.Cl
• Canonical SMILES: C[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
• InChIKey: ILYVXUGGBVATGA-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopropanoic acid hydrochloride
• IUPAC Traditional name: L-alanine hydrochloride
• Synonyms: L-Alanine hydrochloride solution; L-丙氨酸 盐酸盐 溶液

Database IDs

• CAS Number: 6003-05-0
• MDL Number: MFCD03791086
• Beilstein Number: 4296703
• PubChem SID: 24879316; 162251912
• PubChem CID: 165389

CALCULATED PROPERTIES

• Acid pKa: 2.4748974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.840927
• LogD (pH = 7.4): -2.843974
• Log P: -2.840788
• Molar Refractivity: 20.4973 cm^3
• Polarizability: 8.358352 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 mM amino acid in 0.1 M HCl
• Grade: analytical standard
• Empirical Formula (Hill Notation): C3H7NO2 · HCl