DL-3-페닐알라닌
DL-3-페닐알라닌 · 3-AMINO-3-PHENYLPROPANOIC ACID · DL-3-PHENYLALANINE · H-DL-PHE-OH · DL-PHENYALANINE · 3 AMINO-PHENYLPROPIONIC ACID · D,L-PHE · DLPA 375
식별자 및 물리적 특성
| CAS No. | 150-30-1 |
|---|---|
| 분자식 | C9H11NO2 |
| 평균 분자량 | 165.19 g/mol |
| 단동위원소 질량 | 165.07897859 g/mol |
| SMILES | N[C@@H](Cc1ccccc1)C(=O)O |
| InChIKey | COLNVLDHVKWLRT-QMMMGPOBSA-N |
| PubChem CID | 6140 |
| ChEMBL | CHEMBL301523 |
| ChEBI | CHEBI:17295 |
| EC No. | 200-568-1 |
| DTXSID | DTXSID4040763 |
| 현지명 | DL-3-페닐알라닌 |
화학 및 물리적 성질
| XLogP | -1.5 |
|---|---|
| 극성 표면적 | 63.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 153 |
| 물질 분류 | Biological Agents -> Amino Acids and Derivatives |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Cosmetic ingredients (Phenylalanine) -> CIR (Cosmetic Ingredient Review)Antistatic |
| LogP(분배 계수) | log Kow = -1.38 |
| 냄새 | Slight냄새 없는 |
| 맛 | Bitter |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| Color/Form | Prisms form waterMonoclinic plates, leaflets from warm concentrated aqueous solutionhydrated needles from dilute solutions |
| 용해도 | 10 to 50 mg/mL at 77 °F (NTP, 1992)Monoclinic leaflets or prisms from water or alchol, sweetish taste. Decomposes at 271-273 °C. Sublimes in vacuo. pK1 = 2.58pK2 = 9.24. Solubility in water (g/L): 9.97 at 0 °C14.11 at 25 °C21.87 at 50 °C37.08 at 75 °C68.9 at 100 °C /Phenylalanine DL-form/Insoluble in ethanol, ethyl ether, benzene, acidVery slightly sol in methanol, ethanolSolubility in water (g/L): 19.8 at 0 °C... 44.3 at 50 °C66.2 at 75 °C99.0 at 100 °C물(난용성, 초음파 처리) |
| 끓는 점 | 563 °F at 760 mmHg (sublimes) (NTP, 1992)293.03°C (rough estimate) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 녹는점 | 266-267 °C (dec.) (lit.) |
| 밀도 | 1.1603 (rough estimate) |
| 굴절률 | 1.5200 (estimate) |
| FEMA | 3726 | D,L-PHENYLALANINE |
| 저장 조건 | Store at RT. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | pK1 2.58pK2 9.24(at 25℃) |
| 색상 | 하얀색 |
| 향취 유형 | 냄새 없는 |
| 생물학적 소스 | synthetic |
| 용해도 | 14.11g/L(25℃) |
| JECFA Number | 1432 |
| Merck | 14,7271 |
| BRN | 1910407 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 펩타이드 합성 |
| 화장품 원료 기능 | 향기피부 컨디셔닝헤어 컨디셔닝 |
| 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 |
| SMILES | NC(Cc1ccccc1)C(O)=O |
| LogP(분배 계수) | 0.24 |
| NIST | L-Phenylalanine(150-30-1) |
| EPA | Phenylalanine (150-30-1) |
화학적 성질
DL-Phenylalanine has a sweet taste. It is an essential amino acid that plays a key role in the biosynthesis of other amino acids and some neurotransmitters.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 98.3% (338 of 344) of all reports.Not ClassifiedAggregated GHS information provided per 344 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: L-PhenylalanineRegulation (EC) No 1831/2003 (amended)Status: Active Update: 01-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16991Phenylalanine: Does not have an individual approval but may be used under an appropriate group standardL-Phenylalanine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - L-Phenylalanine: Environment tier I assessment |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 유해성 요약 | Safe when used as a flavoring agent in food[JECFA] May cause irritation[Sigma-Aldrich MSDS] |
| FDA 요건 | L-Phenylalanine is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: phenylalanine is included in weight control drug products.Phenylalanine used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. |
| 반응성 그룹 |
용도
출처
Phenylalanine is the most commonly found aromatic amino acid in proteins and enzymes with a molar ratio of 3.5% compared to the other amino acids, about double the amount of any other aromatic amino acid. Reported found in white bread, macaroni, egg noodles, corn flakes, corn grits, oatmeal, wheat bran, wheat flakes, shredded wheat, barley, brown rice, rye flour, whole grain wheat flour, buttermilk, blue cheese, cheddar cheese, cottage cheese, cream cheese, parmesan cheese, bacon, cured ham, frankfurters, pork sausage, canned red kidney beans, canned sweet corn, canned peas, canned lima beans, canned potatoes, canned asparagus, canned snap beans, canned beets, beef, lamb, fresh ham, veal round, beef liver, chicken, chicken liver, turkey and other natural sources.
용도
DL-Phenylalanine is used torelieve cases of minor depressionand other mood issues as well as and physical discomforts and pain. It is also used in acupunctureanesthesia, alcohol withdrawal.
일반 설명
Phenylalanine is an amino acid. It participates in the preparation of ternary piroxicam complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II). Characterization of these complexes by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction methods has been conducted. Crystalline DL-phenylalanine was prepared by its reduction in silica gel by solubility method.
제조 및 합성 방법
제조 방법
By microbial bioengineered process.