Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
BOC-LYS · BOC-LYS-OH · BOC-L-LYSINE · BOC-LYSINE · BOC-L-LYS-OH · N-ALPHA-T-BOC-L-LYSINE · Nα-(tert-Butoxycarbonyl)-L-lysine · NSC 343721
![N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine 분자 구조식](/img/chemical/100148.png)
식별자 및 물리적 특성
| CAS No. | 13734-28-6 |
|---|---|
| 분자식 | C11H22N2O4 |
| 평균 분자량 | 246.3 g/mol |
| 단동위원소 질량 | 246.15795719 g/mol |
| SMILES | CC(C)(C)OC(=O)NC(CCCCN)C(=O)O |
| InChIKey | DQUHYEDEGRNAFO-UHFFFAOYSA-N |
| PubChem CID | 100148 |
| EC No. | 237-303-4 |
| DTXSID | DTXSID201383552 |
화학 및 물리적 성질
| XLogP | -1.6 |
|---|---|
| 극성 표면적 | 102 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 261 |
| 녹는점 | ~205 °C (dec.)(lit.) |
| 끓는 점 | 389.3°C (rough estimate) |
| 밀도 | 1.1313 (rough estimate) |
| 굴절률 | 21.5 ° (C=2, MeOH) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 아세트산(약간 용해됨), 메탄올(약간 용해됨, 초음파 처리), 물(약간 용해됨, 가열) |
| pKa(산도 계수) | 3.92±0.21(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| 용해도 | 물에 용해됩니다. 메탄올에 약간 용해됩니다. |
| BRN | 4252546 |
| 주요 응용 | 펩타이드 합성 |
| InChI | InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1 |
| InChIKey | DQUHYEDEGRNAFO-QMMMGPOBSA-N |
| SMILES | C(O)(=O)[C@H](CCCCN)NC(OC(C)(C)C)=O |
화학적 성질
white to off-white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.There are 2 notifications provided by 2 of 4 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2924 19 00 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 24/25-36-26 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |