基本情報
- CAS
12389-75-2- 標準SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)O.[Fe+3].[Na+]- InChIKey
UEHRTZASQAWUOJ-UHFFFAOYSA-J- 分子式
- C14H18FeN3O10.H.Na
- 平均分子量
- 468.15 g/mol
- 単同位体質量
- 468.031749
名称と識別子
- 優先名称
- Sodium hydrogen ferric diethylenetriaminepentacetate
- IUPAC
- sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;iron(3+)
- 現地名
- （PBPY-7-13-12564）-［rel-［N（R）］-N-［2-［ビス［（カルボキシ-κO）メチル］アミノ-κN］エチル］-N-［2-［（S）-［（カルボキシ-κO）メチル］（カルボキシメチル）アミノ-κN］エチル］グリシナト（5-）-κN，κO］ナトリウム水素フェラート（2-）
- 英語名
- Sodium hydrogen ferric DTPA
- 分子式
- C14H19FeN3NaO10
- 分子量
- 468.15
名称と別名
EINECS 235-627-0EC 235-627-0Sodium hydrogen ferric diethylenetriaminepentacetatesodium hydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)Ferrate(2-), (rel-(N(R))-N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-((S)-((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN,kappaO)-, sodium hydrogen, (PB-7-13-12564)-Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)-Sodium hydrogen (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))ferrate(2-)Ferrate(2-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, sodium hydrogen, (PB-7-13-12564)-Ferrate(2-), (rel-(N(R))-N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-((S)-((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN,kappaO)-, sodium hydrogen (1:1:1), (PB-7-13-12564)-Ferrate(2-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, sodium hydrogen, (PB-7-13-12564)-
物性
構造計算による物性
- 極性表面積
- 208 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 13
- 回転可能結合数
- 12
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 515
実験および物理化学的性質
Physical DescriptionDry Powder; CBI; Large Crystals
物理化学的性質
- 比重(密度)
- 1.607 · 1.607[at 20℃]
- 水溶解度
- 113 g/L · 113g/L at 30℃
- LogP
- -11.9 · -11.9
- EPAの化学物質情報
- 2 · Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)- (12389-75-2)
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 99.2% (121 of 122) of all reports.
Not Classified
Aggregated GHS information provided per 122 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ferrate(2-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, sodium hydrogen, (PB-7-13-12564)-
Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)- 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)
REACH registered substance: Sodium hydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-) (EC: 235-627-0)
Sodium hydrogen ferric diethylenetriaminepentacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesChelating agent
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, sodium hydrogen (1:1:1), (PB-7-13-12564)-: ACTIVE
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