N-Nitroso 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline
Impurity reference standard
- CAS number
- 1801431-26-4
- InChIKey
- OCQOIHNPJPIPEW-UHFFFAOYSA-N
- Molecular formula
- C17H22N2O2
- Molecular weight
- 286.37
- Exact mass
- 286.1681 Da
About N-Nitroso 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline
N-Nitroso 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline is supplied as an analytical reference standard. It is registered under CAS number 1801431-26-4.
The compound is characterised by its molecular formula C17H22N2O2 and a molecular weight of 286.37, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 286.1681 Da, a calculated LogP of 3.86, a topological polar surface area of 41.90 Ų. It presents 0 hydrogen-bond donors and 3 acceptors. The structure carries 1 defined stereocentre, which is relevant wherever a stereochemically defined standard is required. 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)
- 3.86
- Topological polar surface area
- 41.90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Rings
- 3
- Defined stereocentres
- 1
- Elemental composition
- C 71.30% · H 7.74% · N 9.78% · O 11.17%
Frequently asked questions
Does N-Nitroso 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline 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 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline uniquely identified?
The InChIKey OCQOIHNPJPIPEW-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 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline?
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 1-( 4-Methoxy Benzyl) 1,2,3,4,5,6,7,8-octahydro Isoquinoline?
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.