기본 정보
- CAS
68399-78-0- 표준 SMILES
O=S(=O)(O)CC(O)CN1CCN(CCO)CC1- InChIKey
GIZQLVPDAOBAFN-UHFFFAOYSA-N- 분자식
- C9H20N2O5S
- 평균 분자량
- 268.33 g/mol
- 단동위원소 질량
- 268.10929292
개요
HEPPSO is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.
이름 및 식별자
- 우선 이름
- 1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
- IUPAC
- 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
- 현지명
- N-(하이드록시에틸)피페라진-N'-2-하이드록시프로판설폰산
- 영어명
- HEPPSO
- 분자식
- C9H20N2O5S
- 분자량
- 268.33
이름 및 동의어
NSC 3741131-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-EINECS 269-990-1DTXSID008873531-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-RefChem:435794DTXCID70872817HEPPSO68399-78-02-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid2-Hydroxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acidN-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid
이름 더 보기
N-(하이드록시에틸)피페라진-N'-2-하이드록시프로판설폰산beta-hyHEPPSO 99+%HEPPSO 98+%HEPPSO BufferHEPPSO HydrateHEPPSO ULTRAPUREHEPPSO, FREE ACIDHEPPSO Hydrate, >=99%LABOTEST-BB LT00138033
MFCD000383513-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-hydroxypropanesulfonic Acid2-Hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propane-1-sulfonic Acidbeta-Hydroxy-4-(2-hydroxyethyl)piperazine-1-propanesulphonic acidNSC3741134-(2-Hydroxyethyl)piperazine-1-(2-hydroxypropane-3-sulfonic Acid)beta-hydroxy-4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid4-(2-Hydroxyethyl)piperazine-1-(2-hydroxypropane sulfonic acid)Free Acid
물성
구조 계산 물성
- XLogP
- -4.6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 308
물리화학적 성질
- 녹는점
- 158 · 158-160°C
- 밀도
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- 수용성
- almost transparency in Water
- 산도 계수 (pKa)
- 1.1 · 1.10±0.50(Predicted)
- 물리적 상태
- 액체
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)
- InChIKey
- GIZQLVPDAOBAFN-UHFFFAOYSA-N
- SMILES
- N1(CCN(CCO)CC1)CC(O)CS(=O)(=O)O
- EPA
- 1 · 1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)- (68399-78-0)
화학적 성질
HEPPSO is a white solid.Solubility: H2O: 250 mg/mL (931.69 mM; Need ultrasonic); DMSO: 250 mg/mL (931.69 mM; Need ultrasonic)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (90.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29335995
- risk_code
- 25-36/37/38
- hazard_code
- T,Xi
- safety_code
- 26-36-45-24/25
화학 및 산업
용도 및 제조
General Manufacturing Information1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-: INACTIVE
응용 분야
용도HEPPSO is a zwitterionic buffer used in GMP-manufacturing of advanced therapy medication products.
용도HEPPSO shows no toxicity for crustaceans with which it has been studied and has been deemed suitable for toxicological studies. As an zwitterionic biological buffer, it often used in biological and biochemical research. It could used as an ampholytic separator to create a pH gradient in isoelectric focusing. HEPPSO is able to form radicals and is thus not suitable for redox reactions. It could forms a complex with Cu(II) ions so stability constants and concentrations should be taken into consideration when using this buffer in a solution containing copper ions. Although HEPPSO binds to coppers ions, it is still suitable for use as the bicinchoninic acid (BCA) assay. Diminished protein-induced color development can be accounted for or even eliminated through precipitating protein prior to reaction with bicinchoninic acid.
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
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