イミノ二酢酸
Iminodiacetic acid
基本情報
- CAS
142-73-4- 標準SMILES
O=C(O)CNCC(=O)O- InChIKey
NBZBKCUXIYYUSX-UHFFFAOYSA-N- 分子式
- C4H7NO4
- 平均分子量
- 133.1 g/mol
- 単同位体質量
- 133.0375077
概要
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.
名称と識別子
- 優先名称
- Iminodiacetic acid
- IUPAC
- 2-(carboxymethylamino)acetic acid
- 現地名
- イミノ二酢酸
- 英語名
- Iminodiacetic acid
- 分子式
- C4H7NO4
- 分子量
- 133.1
名称と別名
IMINODIACETIC ACID142-73-4Iminodiethanoic acidDiglykokoll2,2'-Iminodiacetic acidAminodiacetic acidDiglycinN-(Carboxymethyl)glycineGlycine, N-(carboxymethyl)-DiglycocollHampshireIminobis(acetic acid)
名称をさらに表示
イミノ二酢酸ジグリシンハンプシルジグリコールアミド酸ジグリココール2,2'-イミノビス酢酸N-(カルボキシメチル)グリシンイミノジ酢酸ハンプシャー2,2'-イミノ二酢酸イミノビス酢酸イミノジエタノイックアシッドイミノ ジ酢酸ジメチルアミンジカルボン酸イミノ二酢酸, 98+%IDAIDA2,2'-azanediyldiacetic acid2,2’-iminobis-aceticaciIMinodiacetic2,2’-iminodiaceticacidn-(carboxymethyl)-glycineDIGLYCOLAMIDIC ACIDC4H7NO4
Acetic acid, iminodi-IMDA2-[(carboxymethyl)amino]acetic acidUSAF DO-55IDA (chelating agent)Iminodi(acetic acid)Acetic acid, 2,2'-iminobis-DTXSID2027098
データベース識別子
- CAS
142-73-4- PubChem CID
- 8897
- DTXSID
DTXSID2027098- ChEMBL
CHEMBL461164- ChEBI
CHEBI:24786- UNII
- XQM2L81M8Z
- EC Number
- 205-555-4
- Nikkaji
- J386G
物性
構造計算による物性
- XLogP
- -3.3
- 極性表面積
- 86.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
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
物理化学的性質
- 融点
- 243 °C · 243 °C (dec.) (lit.)
- 沸点
- 245.59 °C · 245.59°C (rough estimate)
- 比重(密度)
- 1.5325 · 1.5325 (rough estimate)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
Protective Action Criteria (PAC)
0.82 [mg/m3]
9.0 [mg/m3]
54 [mg/m3]
毒性情報
化学と産業
薬理情報
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.
用途と製造
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
関連反応
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