(2S)-2-hydroxy-2-phenylacetamide

• ChemBase ID: 142593
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1ccc(cc1)[C@@H](C(=O)N)O
• Canonical SMILES: O[C@@H](c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)/t7-/m0/s1
• InChIKey: MAGPZHKLEZXLNU-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxy-2-phenylacetamide
• IUPAC Traditional name: (2S)-2-hydroxy-2-phenylacetamide
• Synonyms: (S)-2-Hydroxy-2-phenylacetamide; L-Mandelamide; (S)-(+)-Mandelamide; (S)-2-羟基-2-苯乙酰胺; L-马来酰亚胺; (S)-扁桃酰胺

Database IDs

• CAS Number: 24008-63-7
• MDL Number: MFCD08704381
• Beilstein Number: 5251737
• PubChem SID: 162236820
• PubChem CID: 818990

CALCULATED PROPERTIES

• Acid pKa: 12.470764
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.08889298
• LogD (pH = 7.4): 0.08888935
• Log P: 0.08889303
• Molar Refractivity: 40.526 cm^3
• Polarizability: 15.837317 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Optical Rotation: [α]/D +56±2°

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97%; ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C8H9NO2

DETAILS

Sigma Aldrich - 711543

Packaging
1 g in poly tube
5 g in poly bottle