tert-Butyl piperazine-1-carboxylate

HCID 178787337CAS 1391054-31-1

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCNCC1
InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N
分子式: C9H18N2O2
平均分子量: 186.25 g/mol

名称と識別子

優先名称: tert-Butyl piperazine-1-carboxylate
IUPAC: tert-butyl piperazine-1-carboxylate
英語名: 1-(Piperazine-13C4)carboxylic Acid tert-B
分子式: C9H18N2O2
分子量: 186.25142

名称と別名

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

名称をさらに表示

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

データベース識別子

CAS: 1391054-31-1
ChEMBL: CHEMBL6176768
UNII: LBC2X3S28C
EC Number: 611-489-0
Nikkaji: J393.816F

物性

構造計算による物性

XLogP: 0.5
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 181

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory InformationStatus: Active Update: 27-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17850

Hazard Classes and CategoriesSkin Irrit. 2 (76.1%)

化学と産業

応用分野

使用N-Boc-piperazine-13C4 (cas# 1391054-31-1) is a compound useful in organic synthesis.

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