N-(Carboxymethyl)-N-(phosphonomethyl)glycine
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Basic information
- CAS
5994-61-6- Standard SMILES
O=C(O)CN(CC(=O)O)CP(=O)(O)O- InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N- Molecular formula
- C5H10NO7P
- Average molar mass
- 227.11 g/mol
- Monoisotopic mass
- 227.01948829
Overview
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.
Names & identifiers
- Preferred name
- N-(Carboxymethyl)-N-(phosphonomethyl)glycine
- IUPAC
- 2-[carboxymethyl(phosphonomethyl)amino]acetic acid
- English name
- N-(Carboxymethyl)-N-(phosphonomethyl)-glycine
- Molecular formula
- C5H10NO7P
- Molecular weight
- 227.11
Names & synonyms
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
Show more names
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
Properties
Computed structural propertiesFilling in
- XLogP
- -4.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Physical DescriptionDry Powder; Wet Solid
Physicochemical properties
- Melting point
- 215 °C · 215 °C (dec.)(lit.)
- Boiling point
- 585.9 · 585.9±60.0 °C(Predicted)
- Density
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 45℃
- storage temp.
- RT, protect from light
- solubility
- Aqueous Base (Slightly), Methanol (Slightly)
- form
- Crystalline
- pka
- 0.9 · 0.90±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 1795744 · 1795744
- Stability
- 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)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
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
Applications
UsesN-(Carboxymethyl)-N-(phosphonomethyl)-glycine is used in surface modification of cobalt oxide nanoparticle to overcome any toxic effect while functioning as cancer antigen carrier.
General DescriptionN-(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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
43 records
Compound notes
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