기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCNCC1- InChIKey
CWXPZXBSDSIRCS-UHFFFAOYSA-N- 분자식
- C9H18N2O2
- 평균 분자량
- 186.25 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl piperazine-1-carboxylate
- IUPAC
- tert-butyl piperazine-1-carboxylate
- 영어명
- 1-(Piperazine-13C4)carboxylic Acid tert-B
- 분자식
- C9H18N2O2
- 분자량
- 186.25142
이름 및 동의어
1-Boc-piperazine57260-71-6tert-butyl piperazine-1-carboxylateN-Boc-piperazine1-(tert-Butoxycarbonyl)piperazineN-t-Butoxycarbonylpiperazine1-piperazinecarboxylic acid, 1,1-dimethylethyl estert-butyl piperazine-1-carboxylateLBC2X3S28CDTXSID30205884EC 611-489-0RefChem:896481
이름 더 보기
N-Boc-piperazine-13C41-(tert-Butoxycarbonyl)piperazine-13C4tert-Butyl 1-(Piperazine-13C4)carboxylate1-(Piperazine-13C4)carboxylic Acid tert-B1-[(1,1-DiMethylethoxy)carbonyl]piperazine-13C41-(Piperazine-13C4)carboxylic Acid 1,1-DiMethylethyl Ester
DTXCID60128375611-489-0InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3Htert-Butyl 1-piperazinecarboxylate1-N-Boc-piperazineMFCD00075265piperazine-1-carboxylic acid tert-butyl esterN-tert-butoxycarbonylpiperazine
데이터베이스 식별자
- CAS
1391054-31-1- ChEMBL
CHEMBL6176768- UNII
- LBC2X3S28C
- EC Number
- 611-489-0
- Nikkaji
- J393.816F
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 181
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 14.1% (10 of 71) of reports.
Warning
H315 (76.1%): 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 71 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850
Hazard Classes and CategoriesSkin Irrit. 2 (76.1%)
화학 및 산업
응용 분야
용도N-Boc-piperazine-13C4 (cas# 1391054-31-1) is a compound useful in organic synthesis.
공급사2 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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