DL-세린
DL-세린 · SERINE · serin · DL-SER · 2-AMINO-3-HYDROXY-PROPIONIC ACID · DL-Serin · DL-Ser-OH · DL-SERINE
식별자 및 물리적 특성
| CAS No. | 302-84-1 |
|---|---|
| 분자식 | C3H7NO3 |
| 평균 분자량 | 105.09 g/mol |
| 단동위원소 질량 | 105.04259309 g/mol |
| SMILES | NC(CO)C(=O)O |
| InChIKey | MTCFGRXMJLQNBG-UHFFFAOYSA-N |
| PubChem CID | 617 |
| ChEBI | CHEBI:17822 |
| EC No. | 206-130-6 |
| DTXSID | DTXSID70859325 |
| 현지명 | DL-세린 |
화학 및 물리적 성질
| XLogP | -3.1 |
|---|---|
| 극성 표면적 | 83.6 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 72 |
| Physical Description | Solid[Merck Index] Beige crystalline solid[Sigma-Aldrich MSDS] |
| 녹는점 | 240 °C (dec.) (lit.) |
| 끓는 점 | 197.09°C (rough estimate) |
| 밀도 | 1.53 |
| 굴절률 | 1.4368 (estimate) |
| 저장 조건 | Store below +30°C. |
| 용해도 | H2O: 용해성 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 2.19(at 25℃) |
| 색상 | 하얀색 |
| 냄새 | 냄새 없는 |
| 용해도 | 50.23g/L(25℃) |
| Merck | 14,8460 |
| BRN | 1721402 |
| 헨리 상수 | 3.9×1010 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996) |
| 화장품 원료 기능 | 향기헤어 컨디셔닝대전방지제피부 컨디셔닝 |
| InChI | 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) |
| InChIKey | MTCFGRXMJLQNBG-UHFFFAOYSA-N |
| SMILES | NC(CO)C(O)=O |
| LogP(분배 계수) | -3.460 |
| NIST | DL-Serine(302-84-1) |
| EPA | Serine (302-84-1) |
화학적 성질
DL-Serine is a kind of colorless monoclinic columnar or lamellae crystal. It is soluble in water (at 20℃, the water solubility is 380g/L), insoluble in ether and ethanol; Decomposition point: 246℃.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 99.6% (261 of 262) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 261 of 262 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 262 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 261 of 262 reports by companies.There is 1 notification provided by 1 of 262 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: DL-SerineRegulation (EC) No 1831/2003 (amended)Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21820Serine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - DL-Serine: Environment tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] See L-Serine. |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | VT8100000 |
| 관세 코드 | 29225000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 기존화학 물질 | KE-30933 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
DL-Serine is a kind of neutral aliphatic amino acids containing hydroxyl groups with polarity but being uncharged, and belongs to nonessential amino acids for human body. It has a high content in sericin silk protein and fibroin protein. It can be formed from the methyl transfer reaction of glycine. It can also be converted to pyruvate or hydroxy pyruvate through deamination. It is also an important raw material for in vivo synthesis of choline and cysteine.
용도
DL-Serine is used in the synthesis of novel tryptoline derivatives as IDO (indoleamine 2,3-Deoxygenase) inhibitors, for potential use in Alzheimer’s treatment.
제조 및 합성 방법
제조 방법
DL-serine is obtained by complexing glycine under the catalysis of copper ions and then combining with formaldehyde under alkaline conditions, followed by acidification, ion exchange, and crystallization in ethanol.