N-Nitroso-N-(phosphonomethyl)glycine
Impurity reference standard
- CAS number
- 56516-72-4
- InChIKey
- BJYYBQPCMQGLLZ-UHFFFAOYSA-N
- Molecular formula
- C3H7N2O6P
- Molecular weight
- 198.07
- Exact mass
- 198.0042 Da
About N-Nitroso-N-(phosphonomethyl)glycine
N-Nitroso-N-(phosphonomethyl)glycine is supplied as an analytical reference standard. It is registered under CAS number 56516-72-4.
The compound is characterised by its molecular formula C3H7N2O6P and a molecular weight of 198.07, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 198.0042 Da, a calculated LogP of -0.81, a topological polar surface area of 127.50 Ų. It presents 3 hydrogen-bond donors and 4 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- -0.81
- Topological polar surface area
- 127.50 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Rings
- 0
- Elemental composition
- C 18.19% · H 3.56% · N 14.14% · O 48.46% · P 15.64%
Frequently asked questions
Does N-Nitroso-N-(phosphonomethyl)glycine come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is N-Nitroso-N-(phosphonomethyl)glycine uniquely identified?
The InChIKey BJYYBQPCMQGLLZ-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for N-Nitroso-N-(phosphonomethyl)glycine?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for N-Nitroso-N-(phosphonomethyl)glycine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.