Basic information
- CAS
1066-51-9- Standard SMILES
NCP(=O)(O)O- InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N- Molecular formula
- CH6NO3P
- Average molar mass
- 111.04 g/mol
- Monoisotopic mass
- 111.00852968
Overview
(aminomethyl)phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of an (aminomethyl)phosphonate(1-).
Names & identifiers
- Preferred name
- (Aminomethyl)phosphonic acid
- IUPAC
- aminomethylphosphonic acid
- English name
- (Aminomethyl)phosphonic acid
- Molecular formula
- CH6NO3P
- Molecular weight
- 111.04
Names & synonyms
(Aminomethyl)phosphonic acid1066-51-9AMINOMETHYLPHOSPHONIC ACID1-Aminomethylphosphonic acidCHEBI:28812NSC-3007690825O5C1UDTXSID5037490RefChem:429439DTXCID3017490623-325-5Aminomethanephosphonic acid
Show more names
AMPAAMINOMETHYLPHOSPHONATEH-GLYP-(OH)2H-AMEPO-(OH)2AMPA 10.0 μg/ml Water(aminomethyl)phosphonicChlorpyrifos Impurity 45Aminomethyanephosphonic Acid
AMePMFCD00008105Phosphonic acid, (aminomethyl)-Amino methane phosphoric acid(1-Aminomethyl)phosphonic acidPhosphaglycineAminomethyl phosphonic acid (AMPA)DG-0043
Database identifiers
- CAS
1066-51-9- PubChem CID
- 14017
- DTXSID
DTXSID5037490- ChEMBL
CHEMBL41873- ChEBI
CHEBI:28812- UNII
- 90825O5C1U
- EC Number
- 623-325-5
- Nikkaji
- J138.614J
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Aminomethylphosphonic acid (AMPA)) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Boiling point
- 358 · 358.0±44.0 °C(Predicted)
- Density
- 0.6 · 0.6
- RTECS
- 6526000 · SZ6526000
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear, colorless
- form
- Fine Crystalline Powder
- pka
- 1 · pK1: 2.35;pK2: 5.9;pK3: 10.8 (25°C)
- color
- White
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- BRN
- 1701219 · 1701219
- Stability
- Stable. Incompatible with strong oxidizing agents. Protect from moisture.
- Major Application
- agricultureenvironmental
- InChI
- 1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
- InChIKey
- MGRVRXRGTBOSHW-UHFFFAOYSA-N
- SMILES
- NCP(O)(O)=O
- CAS DataBase Reference
- 1066 · 1066-51-9(CAS DataBase Reference)
- FDA UNII
- 90825 O5C1U · 90825O5C1U
- EPA Substance Registry System
- Aminomethylphosphonic acid (1066-51-9)
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,C,T
- Risk Statements
- 36 · 36/37/38-35-39/23/24/25-20/21/22
- Safety Statements
- 26 · 26-36-24/25-45-36/37/39-36/37
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- F
- 3 · 3-9
- HS Code
- 29319090 · 29319090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 79.2% (38 of 48) of all reports.
Warning
H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, (aminomethyl)-
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Aminomethylphosphonic acid
62649
Pesticide degradation product
Also see CASRN 1071836
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- F
- 3-9
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29319090
- risk_code
- 36/37/38-35-39/23/24/25-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,T
- safety_code
- 26-36-24/25-45-36/37/39-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses(Aminomethyl)phosphonic acid is used in the preparation of (acetylamino-methyl)-phosphonic acid by reacting with acetic anhydride. Further, it is used in the development of immobilized metal affinity chromatography column based on organic-inorganic hybrid silica monolith.
UsesAminomethanephosphonic acid is a degradation product of glyphosate (G765000), a herbicide.
General Description(Aminomethyl)phosphonic acid is a metabolite of amitrole and glyphosate herbicides and was analyzed by HPLC using an electrochemical detector.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionChEBI: A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.
Related reactions
53 records
Compound notes
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