Bicine

HCID 8761CAS 150-25-4

기본 정보

표준 SMILES: O=C(O)CN(CCO)CCO
InChIKey: FSVCELGFZIQNCK-UHFFFAOYSA-N
분자식: C6H13NO4
평균 분자량: 163.17 g/mol
단동위원소 질량: 163.0844579

개요

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.

이름 및 식별자

우선 이름: Bicine
IUPAC: 2-[bis(2-hydroxyethyl)amino]acetic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.8
극성 표면적: 81 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biological Buffers

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2건

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

Solid

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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