기본 정보
- CAS
63422-71-9- 표준 SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2)C(=O)C1=O- InChIKey
JQEHQELQPPKXRR-LLVKDONJSA-N- 분자식
- C15H17N3O5
- 평균 분자량
- 319.31 g/mol
- 단동위원소 질량
- 319.11682065
이름 및 식별자
- 우선 이름
- (R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acid
- IUPAC
- (2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
- 영어명
- (2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid
- 분자식
- C15H17N3O5
- 분자량
- 319.31
이름 및 동의어
63422-71-9(R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetic acidEINECS 264-133-8YG582EF7NG(R)-(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylaceticacidDTXSID50212838EC 264-133-8(R)-(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetic acidPIPERACILLIN SODIUM IMPURITY G (EP IMPURITY)PIPERACILLIN SODIUM IMPURITY G [EP IMPURITY](R)-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetic acidBENZENEACETIC ACID, .ALPHA.-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (.ALPHA.R)-
이름 더 보기
EPCPamino]-2-phenyL(2R)-2-[(4-EthyL-2,3-dioxopiperazinyLGulacillin impurity GPiperacillin Impurity Gpiperacillin EP Impurity G(2R)-2-[[(4-Ethyl-2,3-dioxopiperaziPiperacillin Impurity 7(EP Impurity G)
BENZENEACETIC ACID, .ALPHA.-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (R)-RefChem:407176DTXCID80135329BENZENEACETIC ACID, ALPHA-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (ALPHAR)-BENZENEACETIC ACID, ALPHA-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-, (R)-(2R)-2-[(4-ETHYL-2,3-DIOXOPIPERAZINYL)CARBONYLAMINO]-2-PHENYLACETIC ACIDPiperacillin Sodium EP Impurity G(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 501
물리화학적 성질
- 녹는점
- 171 °C · 171 °C (dec.)(lit.)
- 끓는 점
- 458.35 °C · 458.35°C (rough estimate)
- 밀도
- 1.2231 · 1.2231 (rough estimate)
- 굴절률
- 1.56 · 1.5600 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.19 · 3.19±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
화학적 성질
(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid is white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.7%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: (R)-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetic acid (EC: 264-133-8)
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933.79.1500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-13632KE-13634
화학 및 산업
응용 분야
용도(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid is used in the preparation of cephem derivatives, as antibacterial agents.
상·하류 제품 정보
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