3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine
Impurity reference standard
- CAS number
- 153719-38-1
- InChIKey
- GAYLOVDFGKQKCJ-UHFFFAOYSA-N
- Molecular formula
- C4H8N4O3
- Molecular weight
- 160.13
- Exact mass
- 160.0596 Da
About 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine
3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine is supplied as an analytical reference standard. It is registered under CAS number 153719-38-1.
The compound is characterised by its molecular formula C4H8N4O3 and a molecular weight of 160.13, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 160.0596 Da, a calculated LogP of -1.00, a topological polar surface area of 80.00 Ų. It presents 1 hydrogen-bond donor and 5 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)
- -1.00
- Topological polar surface area
- 80.00 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Rings
- 1
- Elemental composition
- C 30.00% · H 5.04% · N 34.99% · O 29.97%
Frequently asked questions
Does 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine 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 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine uniquely identified?
The InChIKey GAYLOVDFGKQKCJ-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 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine?
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 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine?
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.