ethyl (2S)-2-amino-2-phenylacetate hydrochloride

• ChemBase ID: 293236
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: O=C(OCC)[C@@H](N)c1ccccc1.Cl
• Canonical SMILES: CCOC(=O)[C@H](c1ccccc1)N.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/t9-;/m0./s1
• InChIKey: FNNXQLSKQSVNLL-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-2-amino-2-phenylacetate hydrochloride
• IUPAC Traditional name: ethyl (2S)-2-amino-2-phenylacetate hydrochloride
• Synonyms: (S)-Ethyl 2-amino-2-phenylacetate hydrochloride

Database IDs

• CAS Number: 59410-82-1
• MDL Number: MFCD02259533
• PubChem SID: 180678767
• PubChem CID: 12478775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07405288
• LogD (pH = 7.4): 1.2131984
• Log P: 1.2916559
• Molar Refractivity: 49.879 cm^3
• Polarizability: 19.97876 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%