Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
L-(-)-시스틴
시스틴 · L-(-)-시스틴 · (H-CYS-OH)2 · l-cystin · 3,3’-dithiobis(2-aminopropanoicacid) · (2R,2'R)-3,3'-Disulfanediylbis(2-aminopropanoic acid) · (CYS)2 · -Cystine
식별자 및 물리적 특성
| CAS No. | 56-89-3 |
|---|---|
| 분자식 | C6H12N2O4S2 |
| 평균 분자량 | 240.3 g/mol |
| 단동위원소 질량 | 240.02384886 g/mol |
| SMILES | N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O |
| InChIKey | LEVWYRKDKASIDU-IMJSIDKUSA-N |
| PubChem CID | 67678 |
| ChEMBL | CHEMBL590540 |
| ChEBI | CHEBI:16283 |
| EC No. | 200-296-3 |
| DTXSID | DTXSID2046418 |
| 현지명 | L-(-)-시스틴 |
화학 및 물리적 성질
| XLogP | -6.3 |
|---|---|
| 극성 표면적 | 177 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 192 |
| 물질 분류 | Biological Agents -> Amino Acids and Derivatives |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Cosmetic ingredients (Cystine) -> CIR (Cosmetic Ingredient Review)AntistaticHair conditioning |
| LogP(분배 계수) | -5.08 |
| 식품 첨가물 | DOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | 0.19 mg/mL1M HCl: 100mg/mL |
| 녹는점 | 260.5 °C>240 °C (dec.) (lit.) |
| Physical Description | Solid[Merck Index] White powder[Sigma-Aldrich MSDS] |
| Dissociation Constants | 1 |
| Collision Cross Section | 145 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]148.1 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]147.3 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]149.4 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]150.08 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]151.5 Ų [M+Na]+ |
| 끓는 점 | 468.2±45.0 °C(Predicted) |
| 밀도 | 1.68 |
| 굴절률 | -222.5 ° (C=1, 1mol/L HCl) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 분말/고체 |
| pKa(산도 계수) | 1.0, 2.1, 8.02, 8.71(at 25℃) |
| 색상 | 하얀색 |
| pH | 4.60 |
| 생물학적 소스 | plant |
| 용해도 | 0.112g/L(25℃) |
| Merck | 14,2782 |
| BRN | 1728094 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 펩타이드 합성 |
| 화장품 원료 기능 | 향기헤어 컨디셔닝대전방지제 |
| InChI | 1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 |
| InChIKey | LEVWYRKDKASIDU-IMJSIDKUSA-N |
| SMILES | N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O |
| LogP(분배 계수) | 0.773 (est) |
| NIST | L-Cystine(56-89-3) |
| EPA | L-Cystine (56-89-3) |
화학적 성질
A white or almost white, crystalline powder, practically insoluble in water and in alcohol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.8% (182 of 186) of all reports.Not ClassifiedAggregated GHS information provided per 186 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: L-CystineCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5911L-cystine: Does not have an individual approval but may be used under an appropriate group standardCystine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - L-Cystine: Environment tier I assessment |
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Not Classified |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | HA2690000 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29309014 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-24/25 |
| 포장분류 | III |
| 기존화학 물질 | KE-12725 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
L-Cystine is a non-essential amino acid for human development. L-Cystine is formed by the dimerization of two cysteines through the sulfur.
일반 설명
This Standard Reference Material (SRM) is intended primarily for use in validating microchemical procedures for the determination of carbon, hydrogen, nitrogen, and sulfur in organic matter. SRM 143d is pure crystalline cystine supplied in a 2 g unit size. For more information, please refer to the SDS and COA.SRM 143D_cert SRM 143D _SDS