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4-Morpholineethanesulfonic acid

HCID 78165
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
145224-94-8
표준 SMILES
O=S(=O)(O)CCN1CCOCC1
InChIKey
SXGZJKUKBWWHRA-UHFFFAOYSA-N
분자식
C6H13NO4S
평균 분자량
195.24 g/mol
단동위원소 질량
195.05652907

개요

2-(N-morpholino)ethanesulfonic acid is an organosulfonic acid and a MES. It is a conjugate acid of a 2-(N-morpholino)ethanesulfonate. It is a tautomer of a 2-(N-morpholiniumyl)ethanesulfonate.

이름 및 식별자

우선 이름
4-Morpholineethanesulfonic acid
IUPAC
2-morpholin-4-ylethanesulfonic acid
영어명
MES monohydrate
분자식
C6H15NO5S
분자량
213.25

이름 및 동의어

4432-31-94-Morpholineethanesulfonic acid2-(N-Morpholino)ethanesulfonic acid2-(4-Morpholinyl)ethanesulfonic acid4-Morpholinethanesulfonic acidMorpholineethanesulfonic acidMES (buffering agent)2-morpholin-4-ylethanesulfonic acidMorpholinoethanesulfonic acid2-(morpholin-4-yl)ethanesulfonic acidMES compound2GNK67Q0C4
이름 더 보기
MES HYDRATEMES.H2OMES 1HYD FREE ACID XTLMORPHOLINOETHANE SULFONIC ACID MONOHYDRATE2-(N-MORPHOLINO)ETHANESULFONIC ACID HYDRATE4-MORPHOLINEETHANESULFONIC ACID MONOHYDRATEMES-HMES-HOMES)MES MonohydMES MONOHYDRATE
CHEBI:39005NSC-157116DTXSID4063454RefChem:461564DTXCID3040306224-632-32-Morpholinoethanesulfonic acidMES

데이터베이스 식별자

CAS
145224-94-8、4432-31-9
PubChem CID
78165
DTXSID
DTXSID4063454
ChEMBL
CHEMBL1234276
ChEBI
CHEBI:39005
UNII
2GNK67Q0C4
EC Number
224-632-3、630-505-7、919-085-9
Nikkaji
J8.725D

물성

구조 계산 물성

XLogP
-3.5
극성 표면적
75.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
12
형식 전하
0
복잡도
214

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biological Buffers
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionColorless solid; [Merck Index] White powder; [Aldrich MSDS]

물리화학적 성질

녹는점
300 °C · >300 °C(lit.)
밀도
10.66 g/mL · 10.66g/mL
저장 조건
Sealed in dry,Room Temperature
용해도
2 O: · H2O: 0.5 M at 20 °C, 투명
물리적 상태
분말, 결정 또는 플레이크
색상
흰색에서 연한 노란색 및/또는 주황색
냄새
냄새 없는
수소이온지수(pH)
2.5 · 2.5-4.0 (25℃, 0.5M in H2O)
산도 계수 (pKa)
6.1 · 6.1(at 25℃)
생물학적 소스
synthetic
수용성
물에 용해됩니다.
Merck
14 · 14,5902
BRN
141319 · 141319
주요 응용

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 97.3% (252 of 259) of all reports.

Not Classified

Aggregated GHS information provided per 259 reports by companies from 7 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 2.1% (2 of 96) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 3건

Chemical: 4-Morpholineethanesulfonic acid

REACH registered substance: 2-morpholinoethanesulphonic acid (EC: 224-632-3)

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

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Morpholine.
Hazard Classes and Categories · 3건

Not Classified

Skin Irrit. 2 (100%)

Skin Irrit. 2 (97.9%)

안전 데이터

wgk
3
tsca
Yes
rtecs
QE3479500
HS 번호
2934999090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed as a biological buffer; [Merck Index]
General Manufacturing Information4-Morpholineethanesulfonic acid: ACTIVE
응용 분야 · 3건

개요MES Monohydrate is a zwitterionic buffer that is not absorbed through cell membranes and is virtually transparent in UV light. MES is a buffering agent used in many biological and biochemical applications. It is also used as a running buffer for denaturing gel electrophoresis. The characteristics of low UV absorptivity, minimal reactivity, stable pH and solubility in water allow MES Monohydrate to be used as a Good's buffer.

용도MES monohydrate is a buffering agent used in biochemistry and molecular biology that was selected and described by Good et al. It is a zwitterionic, morpholinic buffer that is useful for a pH range of 5.5 – 6.7 and commonly used for cell culture media, as a running buffer in electrophoresis, and for protein purification in chromatography. MES lacks the ability to form a complex with most metal ions and is recommended for use as a non-coordinating buffer in solutions with metal ions. MES is often used in buffered culture media for bacteria, yeast, and mammalian cells. It is toxic towards plants at high concentrations, but can be used in culture media at lower concentrations for plants. Due to low ionic mobility, MES is regarded as an excellent buffer for use in capillary electrochromatography. MES is often employed as a substitute for the highly toxic cacodylate, as well as a substitute for the non-zwitterionic buffers citrate and malate. MES complexes with some organotin(IV) molecules that are being explored as antitumor agents.MES free acid or MES free acid monohydrate can be mixed with MES sodium salt to acquire desired pH. Alternatively, MES free acid or MES free acid monohydrate can be titrated with sodium hydroxide to attain desired pH.

일반 설명buffer substance MES

상·하류 제품 정보

상류 원료

세틸 알코올 에톡실산

관련 반응

36건
반응 기록 만들기
HRID 159270 반응식
HRID 159270반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 332914 반응식
HRID 332914반응물로uspto-grants-2014_11
HRID 405668 반응식
HRID 405668용매로uspto-grants-2014_06
HRID 449770 반응식
HRID 449770생성물로uspto-grants-2013_07
HRID 469924 반응식
HRID 469924용매로uspto-grants-2014_01
HRID 559332 반응식
HRID 559332용매로uspto-grants-2011_11
HRID 655490 반응식
HRID 655490용매로uspto-grants-2011_12
HRID 669471 반응식
HRID 669471반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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농업진단 검사 제조일반 분석미생물학
InChI
InChI=1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2
InChIKey
MIIIXQJBDGSIKL-UHFFFAOYSA-N
SMILES
S(=O)(=O)(O)CCN1CCOCC1.O

화학적 성질

white crystalline powder