기본 정보
- CAS
2378-95-2- 표준 SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC- InChIKey
WBYNXAAEBPJETG-AWEZNQCLSA-N- 분자식
- C17H24N2O5
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 336.16852187
이름 및 식별자
- 우선 이름
- L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
- IUPAC
- diethyl (2S)-2-[[4-(methylamino)benzoyl]amino]pentanedioate
- 영어명
- diethyl N-[4-(methylamino)benzoyl]-L-glutamate
- 분자식
- C17H24N2O5
- 분자량
- 336.38
이름 및 동의어
Diethyl N-[4-(methylamino)benzoyl]-L-glutamateEINECS 219-161-5Diethyl N-(4-(methylamino)benzoyl)-L-glutamateNSC 121189Diethyl N-(p-N-methylaminobenzoyl)glutamateN-(p-Methylaminobenzoyl)glutamic acid diethyl esterDTXSID20883832EC 219-161-51,5-Diethyl N-[4-(methylamino)benzoyl]-L-glutamateL-Glutamic acid, N-(4-(methylamino)benzoyl)-, diethyl esterGlutamic acid, N-(p-(methylamino)benzoyl)-, diethyl ester, L-L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
이름 더 보기
diethyl (4-(methylamino)benzoyl)-L-glutamateN-(4-N-Methylaminobenzoyl)-L-glutamic acid diethyl esterMethotrexate Impurity 18Diethyl p-aminobenzoylglutamateN-[4-(METHYLAMINO)BENZOYL]-L-GLUTAMATEDiethyl p-methylaminobenzoyl glutamateDiethyl N-(4-methylamino) benzoyl-L-glutamatelDIETHYL-N-(PARA-METHYLAMINOBENZOYL)-L-GLUTAMATE
L-Glutamic acid, N-[4-(methylamino)benzoyl]-, 1,5-diethyl esterL-Glutamic acid, N-[4-(methylamino)benzoyl]-, diethyl ester1,5-Diethyl N-(4-(methylamino)benzoyl)-L-glutamateRefChem:796318DTXCID901023317219-161-52378-95-2(S)-Diethyl 2-(4-(methylamino)benzamido)pentanedioate
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 93.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 419
물리화학적 성질
- 녹는점
- 88 · 88-89 °C
- 끓는 점
- 518.3 · 518.3±50.0 °C(Predicted)
- 밀도
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Sparingly)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.01 · 14.01±0.46(Predicted)
- 색상
- 미색부터 옅은 갈색까지
- 안정성
- 흡습성
- 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
- InChIKey
- WBYNXAAEBPJETG-AWEZNQCLSA-N
- SMILES
- C(OCC)(=O)[C@H](CCC(OCC)=O)NC(=O)C1=CC=C(NC)C=C1
- EPA
- 4 · L-Glutamic acid, N-[4-(methylamino)benzoyl]-, diethyl ester (2378-95-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute 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.
유해성 정보
Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19282
Hazard Classes and CategoriesAcute Tox. 4 (25%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationL-Glutamic acid, N-[4-(methylamino)benzoyl]-, 1,5-diethyl ester: INACTIVE
공급사102 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
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