Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 75413생성일: 2026년 10월 30일
L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
diethyl (4-(methylamino)benzoyl)-L-glutamate · N-(4-N-Methylaminobenzoyl)-L-glutamic acid diethyl ester · Methotrexate Impurity 18 · Diethyl p-aminobenzoylglutamate · N-[4-(METHYLAMINO)BENZOYL]-L-GLUTAMATE · Diethyl p-methylaminobenzoyl glutamate · Diethyl N-(p-N-methylaminobenzoyl)glutamate · Diethyl N-(4-methylamino) benzoyl-L-glutamatel
https://huagongshe.com/ko/chemical/75413
식별자 및 물리적 특성
| CAS No. | 2378-95-2 |
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| 분자식 | C17H24N2O5 |
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| 평균 분자량 | 336.4 g/mol |
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| 단동위원소 질량 | 336.16852187 g/mol |
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| SMILES | CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC |
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| InChIKey | WBYNXAAEBPJETG-AWEZNQCLSA-N |
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| PubChem CID | 75413 |
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| ChEMBL | CHEMBL4974505 |
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| EC No. | 219-161-5 |
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| DTXSID | DTXSID20883832 |
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화학 및 물리적 성질
| XLogP | 2.1 |
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| 극성 표면적 | 93.7 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 11 |
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| 무거운 원자 수 | 24 |
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| 형식 전하 | 0 |
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| 복잡도 | 419 |
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| 녹는점 | 88-89 °C |
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| 끓는 점 | 518.3±50.0 °C(Predicted) |
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| 밀도 | 1.165±0.06 g/cm3(Predicted) |
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| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
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| 용해도 | Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Sparingly) |
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| 물리적 상태 | 고체 |
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| pKa(산도 계수) | 14.01±0.46(Predicted) |
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| 색상 | 미색부터 옅은 갈색까지 |
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| 안정성 | 흡습성 |
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| InChI | InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1 |
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| InChIKey | WBYNXAAEBPJETG-AWEZNQCLSA-N |
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| SMILES | C(OCC)(=O)[C@H](CCC(OCC)=O)NC(=O)C1=CC=C(NC)C=C1 |
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| EPA | L-Glutamic acid, N-[4-(methylamino)benzoyl]-, diethyl ester (2378-95-2) |
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안전 및 규제
| GHS 분류 | WarningH302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19282 |
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| Hazard Classes and Categories | Acute Tox. 4 (25%) |
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| TSCA 등재 상태 | TSCA listed |
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