N-(Carboxymethyl)-N-(phosphonomethyl)glycine
PMIDA · Bisphosphine · N-Phosphonomethyl aminodiacetic acid · N-(PHOSPHONOMETHYL)IMINODIACETIC ACID · N-(PHOSPHONOMETHYL)IMINODIACETIC ACID MONOHYDRATE · PMID · N-(PhosphonoMe · Two Gan phosphine
식별자 및 물리적 특성
| CAS No. | 5994-61-6 |
|---|---|
| 분자식 | C5H10NO7P |
| 평균 분자량 | 227.11 g/mol |
| 단동위원소 질량 | 227.01948829 g/mol |
| SMILES | O=C(O)CN(CC(=O)O)CP(=O)(O)O |
| InChIKey | AZIHIQIVLANVKD-UHFFFAOYSA-N |
| PubChem CID | 80092 |
| ChEMBL | CHEMBL5396533 |
| ChEBI | CHEBI:63485 |
| EC No. | 227-824-5 |
| DTXSID | DTXSID3027611 |
화학 및 물리적 성질
| XLogP | -4.6 |
|---|---|
| 극성 표면적 | 135 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 255 |
| Physical Description | Dry PowderWet Solid |
| 녹는점 | 215 °C (dec.)(lit.) |
| 끓는 점 | 585.9±60.0 °C(Predicted) |
| 밀도 | 1.792±0.06 g/cm3(Predicted) |
| 증기압 | 0Pa at 45℃ |
| 저장 조건 | RT, protect from light |
| 용해도 | 수용성 염기(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 수정 같은 |
| pKa(산도 계수) | 0.90±0.10(Predicted) |
| BRN | 1795744 |
| 안정성 | 흡습성 |
| 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 |
| EPA | Phosphonomethyliminodiacetic acid (5994-61-6) |
안전 및 규제
| GHS 분류 | DangerH314 (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. |
|---|---|
| 규제 정보 | 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/13577Glycine, 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 Categories | Skin Corr. 1B (95.1%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3261 8/PG 3 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 위험 등급 | Eye Dam. 1STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.
일반 설명
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.