(2R)-2-amino-3-phenylpropanoic acid

• ChemBase ID: 102685
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N[C@H](Cc1ccccc1)C(=O)O
• Canonical SMILES: N[C@@H](C(=O)O)Cc1ccccc1
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
• InChIKey: COLNVLDHVKWLRT-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-phenylpropanoic acid
• IUPAC Traditional name: D-phenylalanine
• Synonyms: H-D-Phe-OH; (2R)-2-amino-3-phenylpropanoic acid; (R)-2-Amino-3-phenylpropionic acid; D-Phenylalanine; D-α-Amino-β-phenyl-propionic acid; D-2-Amino-3-phenylpropionic acid; D-PHENYLALANINE; D-β-PHENYL-α-ALANINE; D-苯丙氨酸; (R)-2-氨基-3-苯丙酸; D-苯基丙氨酸

Database IDs

• CAS Number: 673-06-3
• EC Number: 211-603-5
• MDL Number: MFCD00004270
• Beilstein Number: 2804068
• Merck Index: 147271
• PubChem SID: 162088496; 24887248; 24898241
• PubChem CID: 71567

CALCULATED PROPERTIES

• Acid pKa: 2.4692297
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1845678
• LogD (pH = 7.4): -1.1878599
• Log P: -1.1844385
• Molar Refractivity: 45.1163 cm^3
• Polarizability: 17.887253 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~275 °C (dec.); ca 275°C dec.
• Optical Rotation: [α]20/D +34±1°, c = 2% in H2O; +34 (c=2 in water)
• Hydrophobicity(logP): -1.556

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AY7533000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Target: Others
• Gene Information: human ... CA1(759), CA14(23632), CA2(760), CA4(762), CA5A(763), CA7(766)

Product Information

• Purity: ≥98% (TLC); ≥99.0% (NT); 95%; 98%; 99%
• Grade: puriss.
• Salt Data: Free Base
• Ignition Residue: ≤0.05%
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C9H11NO2

DETAILS

MP Biomedicals - 05216575

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102616

Purity:99%
Crystalline

Sigma Aldrich - P1751

Packaging
5, 25, 100 g in poly bottle