Pipes

HCID 79723CAS 5625-37-6

基本情報

標準SMILES: O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
InChIKey: IHPYMWDTONKSCO-UHFFFAOYSA-N
分子式: C8H18N2O6S2
平均分子量: 302.4 g/mol
単同位体質量: 302.0606283

概要

2,2'-piperazine-1,4-diylbisethanesulfonic acid is a Good's buffer substance, pKa = 6.8 at 20 C. It is a conjugate acid of a 2,2'-piperazine-1,4-diylbisethanesulfonate.

名称と識別子

優先名称: Pipes
IUPAC: 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

名称と別名

PIPES5625-37-61,4-Piperazinediethanesulfonic acidPiperazine-N,N'-bis(2-ethanesulfonic acid)1,4-Piperazinebis(ethanesulfonic acid)G502H79V6LNSC-157117EINECS 227-057-6PIPES [MI]NSC 1571172,2'-(Piperazine-1,4-diyl)bis(ethanesulphonic) acidDTXSID8063965

名称をさらに表示

RefChem:8636291,4-piperazineethanesulfonateDTXCID5042035CHEBI:390331,4Piperazinediethanesulfonic acid1,4-piperazinediethanesulphonic acid1,4-piperazinediethane sulfonic acid1,4Piperazinebis(ethanesulfonic acid)

データベース識別子

CAS: 5625-37-6
PubChem CID: 79723
DTXSID: DTXSID8063965
ChEBI: CHEBI:44933
UNII: G502H79V6L
EC Number: 227-057-6
Nikkaji: J8.030F

物性

構造計算による物性

XLogP: -6.7
極性表面積: 132 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 18
形式電荷: 0
複雑度: 397

実験および物理化学的性質

Chemical ClassesOther Uses -> Biological Buffers

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 96% (72 of 75) of all reports.

Not Classified

Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,4-Piperazinediethanesulfonic acid

Status: Active Update: 25-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22444

1,4-Piperazinediethanesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

UsesUsed as a biological buffer; [Merck Index]

General Manufacturing Information1,4-Piperazinediethanesulfonic acid: ACTIVE