Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아세틸글루타믹애씨드
아세틸글루타믹애씨드 · N-Acetylglutamic acid · N-Acetyl-L-glutamate · n-acetylglutamate · NAcGlu · AC-GLU-OH · N-AC-L-GLU · N-Ac-Glu-OH
식별자 및 물리적 특성
| CAS No. | 1188-37-0 |
|---|---|
| 분자식 | C7H11NO5 |
| 평균 분자량 | 189.17 g/mol |
| 단동위원소 질량 | 189.06372245 g/mol |
| SMILES | CC(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| PubChem CID | 70914 |
| ChEMBL | CHEMBL1234751 |
| ChEBI | CHEBI:17533 |
| DTXSID | DTXSID3046534 |
| 현지명 | 아세틸글루타믹애씨드 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 104 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 225 |
| 용해도 | 52 mg/mLSolubleSparingly soluble (in ethanol)36g/l(약) |
| 녹는점 | 199199 - 201 °C194-196 °C(lit.) |
| Physical Description | SolidWhite powder or white crystalsSavoury, cooked roasted |
| Collision Cross Section | 141 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]139.63 Ų [M-H]- [CCS Type: DTMethod: stepped-field]149.63 Ų [M+Na]+ [CCS Type: DT139.03 Ų [M+H]+ [CCS Type: DT141.7 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]143.3 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.4 Ų [M+Na]+ [CCS Type: DT136.9 Ų [M-H]- [CCS Type: DT142.5 Ų [M+Na]+143.5 Ų [M-2H+Na]-137 Ų [M-H]- |
| 끓는 점 | 324.41°C (rough estimate) |
| 밀도 | 1.4119 (rough estimate) |
| FEMA | 4752 | N-ACETYL GLUTAMATE |
| 굴절률 | -15 ° (C=1, H2O) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 3.45±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| 용해도 | 물에 용해 2.7g/100mL(20℃) |
| JECFA Number | 2269 |
| BRN | 1727473 |
| 주요 응용 | 펩타이드 합성 |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| InChI | 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| SMILES | CC(=O)N[C@@H](CCC(O)=O)C(O)=O |
| LogP(분배 계수) | -2.131 (est) |
| NIST | N-acetyl-l-glutamic acid(1188-37-0) |
| EPA | L-Glutamic acid, N-acetyl- (1188-37-0) |
화학적 성질
white crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 15 of 16 companies (only 6.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 15 of 16 reports by companies.There is 1 notification provided by 1 of 16 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 | Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 독성 요약 | The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Glutamic AcidSafe for use in cosmetics, with qualifications |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | LZ9725000 |
| 관세 코드 | 29241900 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-00118 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
N-Acetyl-L-glutamic Acid is the N-Acetyl analogue of the non-essential amino acid, L-glutamic acid (G596960). N-Acetyl-L-glutamic Acid activates carbamoyl phosphate synthetase in the urea cycle.