Bicine

HCID 8761CAS 150-25-4

基本情報

標準SMILES: O=C(O)CN(CCO)CCO
InChIKey: FSVCELGFZIQNCK-UHFFFAOYSA-N
分子式: C6H13NO4
平均分子量: 163.17 g/mol
単同位体質量: 163.0844579

概要

N,N-bis(2-hydroxyethyl)glycine is a bicine that is a Good's buffer substance, pKa = 8.35 at 20 C. It is a conjugate acid of a [bis(2-hydroxyethyl)amino]acetate. It is a tautomer of a [bis(2-hydroxyethyl)ammonio]acetate.

名称と識別子

優先名称: Bicine
IUPAC: 2-[bis(2-hydroxyethyl)amino]acetic acid

名称と別名

Bicine150-25-4N,N-Bis(2-hydroxyethyl)glycineDiethylolglycineDiethanol glycineDihydroxyethylglycineBiceneGlycine, N,N-bis(2-hydroxyethyl)-2-(bis(2-hydroxyethyl)amino)acetic acidN,N-Dihydroxyethyl glycineN,N-DihydroxyethylglycineDHEG

名称をさらに表示

2-[bis(2-hydroxyethyl)amino]acetic aciddi(hydroxyethyl)glycine1J484QFI1ONSC-7342NSC-7512CHEBI:40957RefChem:568038CHEBI:39065

データベース識別子

CAS: 150-25-4
PubChem CID: 8761
DTXSID: DTXSID3041669
ChEMBL: CHEMBL1231251
ChEBI: CHEBI:40957
UNII: 1J484QFI1O
EC Number: 205-755-1
Nikkaji: J39.915I

物性

構造計算による物性

XLogP: -3.8
極性表面積: 81 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 11
形式電荷: 0
複雑度: 111

実験および物理化学的性質

Chemical ClassesOther Uses -> Biological Buffers

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2 件

Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]

Solid

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.6% (124 of 127) of all reports.

Not Classified

Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Glycine, N,N-bis(2-hydroxyethyl)-

Status: Active Update: 23-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23693

Glycine, N,N-bis(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses changes in tubules (including acute renal failure and necrosis) in intraperitoneal lethal-dose studies of mice (LD50 = 1,540 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS] See Glycine.

Hazard Classes and CategoriesNot Classified