(2R)-2-amino-2-phenylacetic acid

• ChemBase ID: 103450
• 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-/m1/s1
• InChIKey: ZGUNAGUHMKGQNY-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 875-74-1
• EC Number: 212-876-3
• MDL Number: MFCD00008061
• Beilstein Number: 2208676
• Merck Index: 147291
• PubChem SID: 24887327; 24898336; 162090942
• PubChem CID: 70134

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 (dec.); 277°C dec.; 302 °C (dec.)(lit.)
• Flash Point: 150 °C; 302 °F
• Optical Rotation: [α]20/D -155°, c = 1 in 1 M HCl; [α]20/D -156±2°, c = 1% in 1 M HCl; -154 (c=1 in 1N HCl)

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); 98%; 99%
• Grade: puriss.
• Ignition Residue: ≤0.05%
• Linear Formula: C6H5CH(NH2)CO2H
• Empirical Formula (Hill Notation): C8H9NO2

DETAILS

MP Biomedicals - 02151832

Crystalline
Pharmaceutical intermediate

Sigma Aldrich - P25485

Packaging
25, 100 g in poly bottle