PMIDA
N-(Carboxymethyl)-N-(phosphonomethyl)glycine
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基本情報
- CAS
5994-61-6- 標準SMILES
O=C(O)CN(CC(=O)O)CP(=O)(O)O- InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N- 分子式
- C5H10NO7P
- 平均分子量
- 227.11 g/mol
- 単同位体質量
- 227.01948829
概要
N-(phosphonomethyl)iminodiacetic acid is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, a member of phosphonic acids, an amino dicarboxylic acid and a tertiary amino compound.
名称と識別子
- 優先名称
- N-(Carboxymethyl)-N-(phosphonomethyl)glycine
- IUPAC
- 2-[carboxymethyl(phosphonomethyl)amino]acetic acid
- 現地名
- PMIDA
- 英語名
- N-(Carboxymethyl)-N-(phosphonomethyl)-glycine
- 分子式
- C5H10NO7P
- 分子量
- 227.11
名称と別名
5994-61-6N-(Carboxymethyl)-N-(phosphonomethyl)glycineN-(phosphonomethyl)iminodiacetic acidPhosphonomethyliminodiacetic acid2,2'-[(phosphonomethyl)imino]diacetic acidGlycine, N-(carboxymethyl)-N-(phosphonomethyl)-PMIDACHEBI:63485AN335F415XEINECS 227-824-5DTXSID3027611EC 227-824-5
名称をさらに表示
2-[(カルボキシメチル)(ホスホノメチル)アミノ]酢酸(ホスホノメチル)イミノビス(酢酸)[(ホスホノメチル)イミノ]二酢酸2,2′-[(ホスホノメチル)イミノ]ビス酢酸N-(カルボキシメチル)-N-(ホスホノメチル)グリシン2,2′-(ホスホノメチルイミノ)ビス酢酸ホスホノメチルイミノビス酢酸ホスホノメチルイミノ二酢酸2,2′-(ホスホノメチルイミノ)二酢酸N-(ホスホノメチル)-N-(カルボキシメチル)グリシン(ホスホノメチル)イミノビス酢酸[(ホスホノメチル)イミノ]ビス酢酸N-(ホスホノメチル)イミノ二酢酸(ホスホノメチルイミノ)二酢酸2,2′-[(ホスホノメチル)イミノ]二酢酸(ホスホノメチルイミノ)ビス酢酸BisphosphineN-Phosphonomethyl aminodiacetic acidN-(PHOSPHONOMETHYL)IMINODIACETIC ACID MONOHYDRATEPMIDN-(PhosphonoMeTwo Gan phosphine2,2'-((Phosphonomethyl)N-(Phosphonomethyl)diglycine
NITRILOTRIS(METHYLENE) TRIPHONIC ACIDAMINOMETHYLPHOSPHONIC N,N-DIACETIC ACIDNITRILODIACETIC ACID METHYLPHOSPHONIC ACIDACETIC ACID, ((PHOSPHONOMETHYL)IMINO)DI-2,2'-((phosphonomethyl)imino)diacetic acidRefChem:828383DTXCID607611227-824-5
データベース識別子
- CAS
5994-61-6- PubChem CID
- 80092
- DTXSID
DTXSID3027611- ChEMBL
CHEMBL5396533- ChEBI
CHEBI:63485- UNII
- AN335F415X
- EC Number
- 227-824-5
- Nikkaji
- J223.930B
物性
構造計算による物性補完中
- XLogP
- -4.6
- 極性表面積
- 135 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 255
実験および物理化学的性質
Physical DescriptionDry Powder; Wet Solid
物理化学的性質
- 融点
- 215 °C · 215 °C (dec.)(lit.)
- 沸点
- 585.9 · 585.9±60.0 °C(Predicted)
- 比重(密度)
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 45℃
- 貯蔵温度
- RT, protect from light
- 溶解性
- Aqueous Base (Slightly), Methanol (Slightly)
- 外見
- Crystalline
- 酸解離定数(Pka)
- 0.9 · 0.90±0.10(Predicted)
- BRN
- 1795744 · 1795744
- 安定性
- Hygroscopic
- InChI
- InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
- InChIKey
- AZIHIQIVLANVKD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(CC(O)=O)CP(O)(O)=O
- CAS データベース
- 5994 · 5994-61-6(CAS DataBase Reference)
- EPAの化学物質情報
- Phosphonomethyliminodiacetic acid (5994-61-6)
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
Danger
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- 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: 06-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/13577
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
安全データ
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard Classifications
- Eye Dam. 1STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
U.S. Production2023: 1,000,000,000 - <2,500,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Not Known or Reasonably Ascertainable
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-: ACTIVE
応用分野
使用N-(Carboxymethyl)-N-(phosphonomethyl)-glycine is used in surface modification of cobalt oxide nanoparticle to overcome any toxic effect while functioning as cancer antigen carrier.
一般的な説明N-(Phosphonomethyl)iminodiacetic acid hydrate is the hydrated form of N-(phosphonomethyl)iminodiacetic acid (PMIDA; H4pmida). The solubility of PMIDA in various solvents and solvent mixtures has been studied. It is the starting material for the synthesis of N-(phosphonomethyl)iminodiacetate (pmida4-), a multidentate organic ligand. PMIDA undergoes molecular oxygen oxidation in the presence of metal salts to form N-(phosphonomethyl)glycine, also known as glyphosate. H4pmida forms the structural unit of various three-dimensional inorganic-organic hybrid compounds.
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