기본 정보
- 표준 SMILES
OCCN(CCO)C(CO)(CO)CO- InChIKey
OWMVSZAMULFTJU-UHFFFAOYSA-N- 분자식
- C8H19NO5
- 평균 분자량
- 209.24 g/mol
- 단동위원소 질량
- 209.12632271
개요
Bis-tris is a buffer substance useful for calibration of glass electrodes and for the preparation of the biochemical and biological buffer solutions; pKa = 6.46 at 25 C. It has a role as a buffer. It is functionally related to a member of tris.
이름 및 식별자
- 우선 이름
- Bistris
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
- 현지명
- 비스-트리스
- 영어명
- BIS-Tris
- 분자식
- C8H19NO5
- 분자량
- 209.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6976-37-0- PubChem CID
- 81462
- DTXSID
DTXSID6064537- ChEBI
CHEBI:41250- UNII
- Q1XC3631CP
- EC Number
- 230-237-7、686-880-2
- Nikkaji
- J135.733F
물성
구조 계산 물성
- XLogP
- -3.3
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 125
실험 및 물리화학적 성질
Physical Description
Liquid
White crystalline powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 104 °C · 104 °C(lit.)
- 끓는 점
- 466.2 · 466.2±40.0 °C(Predicted)
- 밀도
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O: · H2O: 1 M at 20 °C, 투명, 무색
- 물리적 상태
- 액체
- 색상
- 노란색에서 주황색으로
- 냄새
- 냄새 없는
- 수소이온지수(pH)
- 9 · 9.0-10.1 (20-25℃, 1M in water)
- 산도 계수 (pKa)
- 6.5 · 6.5(at 25℃)
- 생물학적 소스
- synthetic
- 수용성
- 녹는
- BRN
- 2205275 · 2205275
- 주요 응용
- 진단 검사 제조
- 화장품 원료 기능
- 버퍼링
- InChI
- 1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
- InChIKey
- OWMVSZAMULFTJU-UHFFFAOYSA-N
- SMILES
- OCCN(CCO)C(CO)(CO)CO
- LogP
- -2.26 at · -2.26 at 20℃
- EPA
- 1 · 1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- (6976-37-0)
- Absorption
- 270 nm · cut-off at 270nm in H2O at 1M
화학적 성질
White/clear crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (2 of 271) of reports.
Danger
H315 (37.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 271 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-
1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24579
1,3-Propanediol, 2-bis(2-hydroxyethyl)amino-2-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (37.6%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29221980
- risk_code
- 36/37/38-21/22-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-22
- 기존화학 물질
- KE-20636
- F 고인화성물질
- 10-23
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-: ACTIVE
응용 분야
용도It is used as a biological buffer, organic synthesize, chemical & pharmaceutical intermediate. It is suitable for fractionation of hemoglobin.
용도Bis-Tris, also known as bis-Tris methane, is a zwitterionic buffering agent used in biochemistry and molecular biology. It is a bis(2-hydroxyethyl)amine and Tris family buffer. Bis Tris is a common component of many buffer systems for various types of electrophoresis. Bis-Tris may form a complex with some common metals, such as Cu(II) and Pb(II), and formation constants should be taken into account when using this buffer in a solution containing metal ions. Bis-Tris can be used as a substitute for the highly toxic buffer cacodylate.
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