기본 정보
- CAS
106-57-0- 표준 SMILES
O=C1CNC(=O)CN1- InChIKey
BXRNXXXXHLBUKK-UHFFFAOYSA-N- 분자식
- C4H6N2O2
- 평균 분자량
- 114.1 g/mol
- 단동위원소 질량
- 114.04292744
이름 및 식별자
- 우선 이름
- 2,5-Piperazinedione
- IUPAC
- piperazine-2,5-dione
- 영어명
- Glycine anhydride
- 분자식
- C4H6N2O2
- 분자량
- 114.1
이름 및 동의어
Piperazine-2,5-dione2,5-Piperazinedione106-57-0GLYCINE ANHYDRIDE2,5-DIKETOPIPERAZINE2,5-DioxopiperazineCycloglycylglycineCyclodiglycineCyclo(glycylglycyl)Glycylglycine lactamDiglycolyl diamideGlycine, bimol. cyclic peptide
이름 더 보기
Diketopiperazine2,5-DioxopiperazinGlycine EP Impurity Bc(Gly-Gly)Oxiracetam-1GlycinanhydridCYCLO(-GLY-GLY)
diglycolyldiamidealpha,gamma-Diacipiperazine240L69DTV7NSC-26345DTXSID8059342CHEBI:165352,5-Diazacyclohexane-1,4-dionecyclo(Gly-Gly)
데이터베이스 식별자
- CAS
106-57-0- PubChem CID
- 7817
- DTXSID
DTXSID8059342- ChEMBL
CHEMBL125229- ChEBI
CHEBI:16535- UNII
- 240L69DTV7
- EC Number
- 203-411-5
- Nikkaji
- J4.036C
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 213.59 °C · 213.59°C (rough estimate)
- 밀도
- 1.3565 · 1.3565 (rough estimate)
- 굴절률
- 1.4487 · 1.4487 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 142 g/L · 142g/L
- 산도 계수 (pKa)
- 12.88 · 12.88±0.20(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 약간 노란색
- 수용성
- 물에 용해됨(142mg/L).
- Merck
- 14 · 14,7466
- BRN
- 112112 · 112112
- InChI
- 1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
- InChIKey
- BXRNXXXXHLBUKK-UHFFFAOYSA-N
- SMILES
- N1CC(=O)NCC1=O
- EPA
- 2 · 2,5-Piperazinedione (106-57-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 3 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 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 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.
유해성 정보
Regulatory Information2,5-Piperazinedione: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Piperazine and salts.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)
규제 정보
Regulatory Information2,5-Piperazinedione: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
용도 및 제조
General Manufacturing Information2,5-Piperazinedione: ACTIVE
응용 분야
용도2,5-Piperazinedione, can be used as an intermediate in the preparation of various pharmaceutical and biologically active compounds. It can be used in the synthesis of dipeptide isosteres by cross-metathesis.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司
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