4-(N-Butyl-N-nitrosamino)butyric Acid
Impurity reference standard
- CAS number
- 38252-74-3
- InChIKey
- OAAQPYUFAOHUMT-UHFFFAOYSA-N
- Molecular formula
- C8H16N2O3
- Molecular weight
- 188.22
- Exact mass
- 188.1161 Da
About 4-(N-Butyl-N-nitrosamino)butyric Acid
4-(N-Butyl-N-nitrosamino)butyric Acid is supplied as an analytical reference standard. It is registered under CAS number 38252-74-3.
The compound is characterised by its molecular formula C8H16N2O3 and a molecular weight of 188.22, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 188.1161 Da, a calculated LogP of 1.63, a topological polar surface area of 69.97 Ų. It presents 1 hydrogen-bond donor and 3 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)
- 1.63
- Topological polar surface area
- 69.97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Rings
- 0
- Elemental composition
- C 51.05% · H 8.57% · N 14.88% · O 25.50%
Frequently asked questions
Does 4-(N-Butyl-N-nitrosamino)butyric Acid 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 4-(N-Butyl-N-nitrosamino)butyric Acid uniquely identified?
The InChIKey OAAQPYUFAOHUMT-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 4-(N-Butyl-N-nitrosamino)butyric Acid?
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 4-(N-Butyl-N-nitrosamino)butyric Acid?
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.