기본 정보
- CAS
5657-17-0- 표준 SMILES
O=C(O)CNCCNCC(=O)O- InChIKey
IFQUWYZCAGRUJN-UHFFFAOYSA-N- 분자식
- C6H12N2O4
- 평균 분자량
- 176.17 g/mol
- 단동위원소 질량
- 176.07970686
개요
Ethylenediaminediacetic acid is an ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. It has a role as a chelator and a bacterial xenobiotic metabolite. It is a glycine derivative, an ethylenediamine derivative, an amino dicarboxylic acid and a polyamino carboxylic acid. It is a conjugate acid of an ethylenediaminediacetate(1-).
이름 및 식별자
- 우선 이름
- Ethylenediaminediacetic acid
- IUPAC
- 2-[2-(carboxymethylamino)ethylamino]acetic acid
- 영어명
- Ethylenediamine-N,N'-diacetic acid
- 분자식
- C6H12N2O4
- 분자량
- 176.17
이름 및 동의어
5657-17-0Ethylenediamine-N,N'-diacetic acidEDDAEthylenediaminediacetic acidGlycine, N,N'-1,2-ethanediylbis-Ethylenediamine-N,N'-di(acetic acid)N,N'-Ethylenediaminediacetic Acid4LX0U5342UDTXSID7063970CHEBI:132240EDDA-ZnRefChem:596730
이름 더 보기
ETHYLENE-N,N'-DIGLYCINEEthylenediiminodiacetic acidn,n’-1,2-ethanediylbis-glycin2-Aminoethyliminobisacetic acid(Ethylenebisimino)bisacetic acid(2-Aminoethylimino)diacetic acid
DTXCID4042092227-105-6N,N'-Ethylenediglycine2-[2-(carboxymethylamino)ethylamino]acetic acid2,2'-(Ethane-1,2-diylbis(azanediyl))diacetic acid1,2-Bis(carboxymethylamino)ethaneGlycine, N,N'-ethylenedi-MFCD00004281
데이터베이스 식별자
- CAS
5657-17-0- PubChem CID
- 61975
- DTXSID
DTXSID7063970- ChEMBL
CHEMBL296340
물성
구조 계산 물성
- XLogP
- -6
- 극성 표면적
- 98.7 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physical Description
Dry Powder
White powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 224 °C · 224 °C (dec.)(lit.)
- 끓는 점
- 307.77 °C · 307.77°C (rough estimate)
- 밀도
- 1.36 · 1.3600 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.4431 · 1.4431 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 알칼리성 용액(약간 용해됨), 물(약간 용해됨)
- 산도 계수 (pKa)
- 1 · pK1:6.42;pK2:9.46 (25°C)
- 물리적 상태
- 가루
- 색상
- 흰색에서 거의 흰색
- 수용성
- 따뜻한 물에 용해됩니다.
- BRN
- 1778355 · 1778355
- InChI
- 1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Glycine, N,N'-1,2-ethanediylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N'-1,2-ethanediylbis- 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: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20274
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (72.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2922.49.8000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesIon exchange agent
Industry UsesIon exchange agent
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Glycine, N,N'-1,2-ethanediylbis-: ACTIVE
응용 분야
용도Ethylenediamine-N,N'-diacetic acid is acts as a chelating agent, used as a haemostatic.
상·하류 제품 정보
하류 제품
공급사74 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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