(2S)-2-amino-2-phenylacetic acid

• ChemBase ID: 103451
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: N[C@H](C(=O)O)c1ccccc1
• Canonical SMILES: N[C@@H](c1ccccc1)C(=O)O
• InChI: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
• InChIKey: ZGUNAGUHMKGQNY-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-2-phenylacetic acid
• IUPAC Traditional name: L-phenylglycine
• Synonyms: H-Phg-OH; L-(+)-2-Phenylglycine; (S)-(+)-alpha-Aminophenylacetic acid; (2S)-2-amino-2-phenylacetic acid; S-(+)-α-Aminophenylacetic acid; L-(+)-α-Phenylglycine; (S)-2-amino-2-phenylacetic acid; (S)-(+)-2-Phenylglycine; S-(+)-α-Aminophenylacetic acid; L-2-Phenylglycine; L-(+)-α-PHENYLGLYCINE; (S)-(+)-α-Aminophenylacetic acid; L-(+)-2-苯基甘氨酸; (S)-(+)-2-苯基甘氨酸; S-(+)-α-氨基苯基乙酸; L-2-苯基甘氨酸; L-(+)-α-苯基甘氨酸; (S)-(+)-α-氨基苯基乙酸

Database IDs

• CAS Number: 2935-35-5
• EC Number: 220-909-8
• MDL Number: MFCD00064403
• Beilstein Number: 2208675
• Merck Index: 147291
• PubChem SID: 162090903; 24854260
• PubChem CID: 99291

CALCULATED PROPERTIES

• Acid pKa: 2.2288363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4721358
• LogD (pH = 7.4): -1.4860865
• Log P: -1.4724004
• Molar Refractivity: 40.3613 cm^3
• Polarizability: 16.044256 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); 288°C dec.
• Optical Rotation: [α]20/D +155°, c = 1 in 1 M HCl; [α]20/D +156±2°, c = 1% in 1 M HCl; +156 (c=1 in 1N HCl)
• Hydrophobicity(logP): -1.695

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 95%; 98%; 98+%; 99%
• Grade: puriss.
• Linear Formula: C6H5CH(NH2)CO2H
• Empirical Formula (Hill Notation): C8H9NO2

DETAILS

MP Biomedicals - 02151834

Crystalline

Sigma Aldrich - 237647

Application
Chiral starting material.
Packaging
25, 100 g in poly bottle