기본 정보
- 표준 SMILES
O=C(O)CNCC(=O)O- InChIKey
NBZBKCUXIYYUSX-UHFFFAOYSA-N- 분자식
- C4H7NO4
- 평균 분자량
- 133.1 g/mol
- 단동위원소 질량
- 133.0375077
개요
Iminodiacetic acid is an amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group. It has a role as a chelator. It is a glycine derivative, an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of an iminodiacetate.
이름 및 식별자
- 우선 이름
- Iminodiacetic acid
- IUPAC
- 2-(carboxymethylamino)acetic acid
- 현지명
- 이미노 디초산
- 영어명
- Iminodiacetic acid
- 분자식
- C4H7NO4
- 분자량
- 133.1
이름 및 동의어
IMINODIACETIC ACID142-73-4Iminodiethanoic acid2,2'-Iminodiacetic acidAminodiacetic acidDiglycinDiglykokollN-(Carboxymethyl)glycineGlycine, N-(carboxymethyl)-DiglycocollHampshireIminobis(acetic acid)
이름 더 보기
이미노디초산이미노다이아세트산2,2'-이미노비스아세트산IDA2,2'-azanediyldiacetic acid2,2’-iminobis-aceticaciIMinodiacetic2,2’-iminodiaceticacidn-(carboxymethyl)-glycineDIGLYCOLAMIDIC ACID
Acetic acid, iminodi-IMDA2-[(carboxymethyl)amino]acetic acidUSAF DO-55IDA (chelating agent)Iminodi(acetic acid)Acetic acid, 2,2'-iminobis-DTXSID2027098
데이터베이스 식별자
- CAS
142-73-4- PubChem CID
- 8897
- DTXSID
DTXSID2027098- ChEMBL
CHEMBL461164- ChEBI
CHEBI:24786- UNII
- XQM2L81M8Z
- EC Number
- 205-555-4
- Nikkaji
- J386G
물성
구조 계산 물성
- XLogP
- -3.3
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 108
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Chelating Agents
Color/FormORTHORHOMBIC CRYSTALS
SolubilityPRACTICALLY INSOL IN ACETONE, METHANOL, ETHER, BENZENE, CARBON TETRACHLORIDE, HEPTANE; SOL IN WATER @ 5 °C: 2.43 G/100 ML
Melting Point247.50 °C. @ 760.00 mm Hg
Physical Description
Dry Powder
Solid; [Merck Index] Light brown crystalline solid; [MSDSonline]
Solid
Dissociation ConstantsPKA1: 2.98; PKA2: 9.89
Other Experimental Properties
FORMS SALTS WITH ACIDS & BASES
220-250 °C (COMMERCIAL)
DECOMP @ 247.5 °C
물리화학적 성질
- 녹는점
- 243 °C · 243 °C (dec.) (lit.)
- 끓는 점
- 245.59 °C · 245.59°C (rough estimate)
- 밀도
- 1.5325 · 1.5325 (rough estimate)
- 굴절률
- 1.454 · 1.4540 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 42 g/L · 42g/L
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.98 · 2.98, 9.89(at 25℃)
- 색상
- 흰색 또는 노란색
- 수소이온지수(pH)
- 2.2 · 2.2-2.3 (H2O, 20℃)(saturated solution)
- 수용성
- 2.43 g/100mL · 2.43g/100mL(5℃)
- Merck
- 14 · 14,4917
- BRN
- 878499 · 878499
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
- InChIKey
- NBZBKCUXIYYUSX-UHFFFAOYSA-N
- SMILES
- OC(=O)CNCC(O)=O
- LogP
- 1.84 · 1.840 (est)
- NIST
- Glycine, N-(carboxymethyl)-(142-73-4)
- EPA
- Glycine, N-(carboxymethyl)- (142-73-4)
화학적 성질
white or yellowish crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 20.1% (55 of 274) of reports.
Warning
H315 (56.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, 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 274 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-
Glycine, N-(carboxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-(carboxymethyl)- 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)
Iminodiacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryEmergency medical treatment: symptomatic drug ingestion; Not tumorigenic when 0.5% solution added to drinking water of rats for most of their lifespans; [HSDB] Intraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] An irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (56.9%)
안전 및 보호
Protective Action Criteria (PAC)
0.82 [mg/m3]
9.0 [mg/m3]
54 [mg/m3]
독성 정보
Non-Human Toxicity ExcerptsNO TUMORIGENICITY IN RATS GIVEN 0.5% IMINODIACETIC ACID IN DRINKING WATER, WITH OR WITHOUT NANO2 OR NANO3, FOR MOST OF THEIR LIFESPANS. DOSE WAS 20 ML SOLN/ANIMAL 5 DAYS A WK.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AI2975000
- 독성
- LD50 orally in Rabbit: > 2000 mg/kg
- HS 번호
- 29224995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-20969
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 142-73-4(Hazardous Substances Data)
화학 및 산업
약리 정보
Mechanism of Action
LEAD NITRATE ALONE OR CHELATED WITH DIFFERENT CHELATING AGENTS INCL IMINODIACETIC ACID (IDA) WAS ADMIN TO PREGNANT RATS ON DAYS 9, 11 OR 16 OF GESTATION. THE LEAD-CHELATE COMPLEX EITHER REDUCED OR EQUALED BUT DID NOT ENHANCE THE OVERALL EMBRYO OR FETAL TOXICITY. THERE WERE NO QUALITATIVELY DIFFERENT EFFECTS PRODUCED WITH CHELATED LEAD VERSUS LEAD ALONE. THE CHELATING AGENTS WERE MORE EFFECTIVE AFTER DAY 9 THAN DAYS 11 OR 16. EDTA PRODUCED THE GREATEST REDUCTION IN OVERALL EFFECT, WHILE IDA PROVIDED THE LEAST PROTECTION.
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
Absorption, Distribution and ExcretionPLACENTAL PERMEABILITY & TRANSFER OF LEAD NITRATE ALONE & CHELATED WITH IMINODIACETIC ACID (PBIDA) IN RATS WERE STUDIED. LITTLE OR NO DIFFERENCES IN MATERNAL BLOOD OR FETAL LEAD CONTENT WERE OBSERVED WITH PBIDA COMPLEX.
용도 및 제조
Uses
Used as a buffer/sequestrant in electroplating applications and to make surfactants, chelating resins, and polymeric amides; Used as IDA, a chelating agent; [HSDB]
Electroplating [Category: Plate]
HAS BEEN SUGGESTED AS INTERMEDIATE IN MFR OF COMPLEX SALTS, CHELATING AGENTS
CHEM INT FOR SURFACTANTS, CHELATING RESINS, POLYMERIC AMIDES; BUFFER/SEQUESTRANT IN ELECTROPLATING APPLICATIONS
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
2020: 39,683 lb
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Industry UsesChelating agent
Methods of Manufacturing
HYDROGENATION OF NITRILOTRIACETIC ACID IN PRESENCE OF PALLADIUM/CARBON CATALYST; AMMONOLYSIS OF CHLOROACETIC ACID
OBTAINED FROM NITRILOTRIACETIC ACID...BY HCL-HYDROLYSIS IN BOMB TUBE: SCHWARZENBACH ET AL, HELV CHIM ACTA 28, 1133 (1945); BY OXYGENATION IN PRESENCE OF PALLADIUM/CARBON CATALYST: TETENBAUM, STONE, CHEM COMMUN 1970, 1699. IMINODIACETIC ACID & NITRILOTRIACETIC ACID ARE FORMED UPON BOILING CHLOROACETIC ACID WITH CONCN AQ AMMONIA: HEINTZ, ANN 149, 88 (1869)
General Manufacturing Information
Not Known or Reasonably Ascertainable
Glycine, N-(carboxymethyl)-: ACTIVE
응용 분야
용도Iminodiacetic acid can be used:In the preparation of iminodiacetic acid (IDA)-type adsorbent for protein purification.As a catalyst along with iron (FeCl3) complexes for methyl methacrylate (MMA) polymerization. In the preparation of chelating resins with glycidyl methacrylate for the selective removal and recovery of metal ions from industrial waste water.As a reagent for the preparation of pinene-derived iminodiacetic acid (PIDA), which is in turn used as a ligand for the synthesis of diastereoselective oxiranyl C(sp3) boronates from the corresponding olefins.In the surface functionalization of multi-walled carbon nanotubes (MWCNTs) which is further utilized as a sorbent for the separation of heavy metal ions.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
嘉兴信思得进出口有限公司+86 (573) 8203-0555 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
苏州盖德精细材料有限公司0512-66627360 13914021065 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
추가 설명
정의ChEBI: An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.
관련 반응
87건
연결된 노트
불러오는 중…