Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸5-메틸피라진-2-카르복실레이트
메틸5-메틸피라진-2-카르복실레이트 · Glipizide Impurity 45 · 5-Methylpyrazinecarboxylic · 5-Methylpyrazine-2-carboxylate · 3,5-dimethyl-2-pyrazinecarboxylate · 2-Methyl-5-(methoxycarbonyl)pyrazine · METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE · Methyl 5-methyl-2-pyrazinecarboxylate
식별자 및 물리적 특성
| CAS No. | 41110-33-2 |
|---|---|
| 분자식 | C7H8N2O2 |
| 평균 분자량 | 152.15 g/mol |
| 단동위원소 질량 | 152.0585775 g/mol |
| SMILES | COC(=O)c1cnc(C)cn1 |
| InChIKey | CRBOSZMVDHYLJE-UHFFFAOYSA-N |
| PubChem CID | 465065 |
| ChEMBL | CHEMBL115764 |
| EC No. | 620-310-5 |
| DTXSID | DTXSID90332766 |
| 현지명 | 메틸5-메틸피라진-2-카르복실레이트 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 52.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 149 |
| LogP(분배 계수) | 0.17 |
| 녹는점 | 92 °C |
| 끓는 점 | 234.1±35.0 °C(Predicted) |
| 밀도 | 1.169±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | 디클로로메탄 또는 메탄올에 용해됨 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | -0.23±0.10(Predicted) |
| InChI | InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3 |
| InChIKey | CRBOSZMVDHYLJE-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)=NC=C(C)N=C1 |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667 |
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| 관세 코드 | 2933998090 |
용도
용도
Methyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).