N-Nitrosodemethyl Chlorphenamine
Impurity reference standard
- CAS number
- 3036581-84-4
- InChIKey
- UPKPBUKPDRVYPK-UHFFFAOYSA-N
- Molecular formula
- C15H16ClN3O
- Molecular weight
- 289.76
- Exact mass
- 289.0982 Da
- Purity
- 95%+
- Appearance
- Brown Sticky Solid
- Storage
- 2℃ ~ 8℃
About N-Nitrosodemethyl Chlorphenamine
N-Nitrosodemethyl Chlorphenamine is supplied as an analytical reference standard. It is registered under CAS number 3036581-84-4.
The compound is characterised by its molecular formula C15H16ClN3O and a molecular weight of 289.76, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 289.0982 Da, a calculated LogP of 3.87, a topological polar surface area of 45.56 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 reporting purity of 95%+ 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. Recommended storage: 2℃ ~ 8℃.
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)
- 3.87
- Topological polar surface area
- 45.56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Rings
- 2
- Defined stereocentres
- 1
- Elemental composition
- C 62.18% · Cl 12.24% · H 5.57% · N 14.50% · O 5.52%
Frequently asked questions
What purity does N-Nitrosodemethyl Chlorphenamine ship at?
N-Nitrosodemethyl Chlorphenamine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does N-Nitrosodemethyl Chlorphenamine 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-Nitrosodemethyl Chlorphenamine uniquely identified?
The InChIKey UPKPBUKPDRVYPK-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-Nitrosodemethyl Chlorphenamine?
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-Nitrosodemethyl Chlorphenamine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should N-Nitrosodemethyl Chlorphenamine be stored?
Recommended storage: 2℃ ~ 8℃.
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.