2-amino-3-phenylpropanoic acid

• ChemBase ID: 70241
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(C(N)Cc1ccccc1)O
• Canonical SMILES: NC(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)
• InChIKey: COLNVLDHVKWLRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-phenylpropanoic acid
• IUPAC Traditional name: phenylalanin
• Synonyms: (±)-2-Amino-3-phenylpropionic acid; (+/-)-2-Amino-3-phenylpropionic acid; H-DL-Phe-OH; alpha-Amino-beta-Phenylpropionic Acid; 2-Amino-3-phenylpropionic acid; DL-Phenylalanine; DL-Phenylalanine; DL-苯基丙氨酸; (±)-2-氨基-3-苯基丙酸; DL-苯丙氨酸

Database IDs

• CAS Number: 150-30-1
• EC Number: 205-756-7
• MDL Number: MFCD00064225
• Beilstein Number: 1910407; 3198807
• Merck Index: 147271
• PubChem SID: 24901862; 24887249; 24848868; 162035964
• PubChem CID: 994
• FEMA ID: 3726
• Council of Europe Number: 10488
• Flavis Number: 17.017

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: 266-267 °C (dec.)(lit.); 266-267°C; 271-273 °C (dec.); ca 266°C dec.
• Organoleptic: sweet

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• German water hazard class: 1
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: FCC

Product Information

• Purity: ≥98.5%; ≥99.0% (NT); 95+%; 98%; 99%
• Grade: NI; puriss.; ReagentPlus®
• Suitability: cell culture tested; insect cell culture tested
• Ignition Residue: ≤0.05%
• Loss on Drying: ≤0.1% loss on drying
• Linear Formula: C6H5CH2CH(NH2)COOH

DETAILS

MP Biomedicals - 02102618

Crystalline
Purity: 99%

MP Biomedicals - 02194722

Cell Culture Reagent
Purity: 99%

MP Biomedicals - 05205957

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W372609

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle
5 kg in fiber drum

Sigma Aldrich - 147966

Packaging
25, 100 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC