N-Boc-피페라진-2-카르복실산메틸에스테르
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
기본 정보
- CAS
129799-15-1- 표준 SMILES
COC(=O)C1CNCCN1C(=O)OC(C)(C)C- InChIKey
BRXKHIPPSTYCKO-UHFFFAOYSA-N- 분자식
- C11H20N2O4
- 평균 분자량
- 244.29 g/mol
- 단동위원소 질량
- 244.14230712
이름 및 식별자
- 우선 이름
- 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
- 현지명
- N-Boc-피페라진-2-카르복실산메틸에스테르
- 영어명
- N-Boc-piperazine-2-carboxylic acid methyl ester
- 분자식
- C11H20N2O4
- 분자량
- 244.29
이름 및 동의어
129799-15-1RefChem:4192051-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate1-n-boc-piperazine-2-carboxylic acid methyl ester1-N-Boc-2-piperazinecarboxylic acid methyl esterMethyl 1-Boc-piperazine-2-carboxylaten-boc-piperazine-2-carboxylic acid methyl esterN-1-Boc-2-piperazinecarboxylic acid methyl esterMETHYL 1-BOC-2-PIPERAZINECARBOXYLATE1,2-PIPERAZINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTERMFCD01861779
이름 더 보기
N-Boc-피페라진-2-카르복실산메틸에스테르Piperazine-1,2-dicarbMethyl N-1-Boc-piperazine-2-carboxylate1-Boc-piperazine-2-carboxylic acid methyl ester1-Boc-2-Piperazinecarboxylic acid methyl ester
1-(tert-butyl) 2-methyl piperazine-1,2-dicarboxylate1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate1-O-tert-butyl 2-O-methyl (2S)-piperazine-1,2-dicarboxylate(r)-1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate1-O-tert-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate1-tert-Butoxycarbonyl-2-carbomethoxypiperazineTert-butyl Methyl Piperazine-1,2-dicarboxylateSCHEMBL654591
데이터베이스 식별자
- CAS
129799-15-1- PubChem CID
- 2756818
- DTXSID
DTXSID20373561- EC Number
- 672-491-5
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 298
물리화학적 성질
- 끓는 점
- 321.3 · 321.3±37.0 °C(Predicted)
- 밀도
- 1.118 g/ml · 1.118g/ml
- 저장 조건
- 2 · 2-8°C(protect from light)
- 물리적 상태
- gel/ oil
- 산도 계수 (pKa)
- 7.25 · 7.25±0.40(Predicted)
- 색상
- 노란색
- InChI
- InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3
- InChIKey
- BRXKHIPPSTYCKO-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCNCC1C(OC)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933599590
- risk_code
- 36/37/38-43-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
화학 및 산업
상·하류 제품 정보
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하류 제품
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