1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Impurity reference standard
- CAS number
- 23708-74-9
- InChIKey
- GIRHIRGKYLQEQN-UHFFFAOYSA-N
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
- Exact mass
- 259.0957 Da
About 1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is supplied as an analytical reference standard. It is registered under CAS number 23708-74-9.
The compound is characterised by its molecular formula C13H13N3O3 and a molecular weight of 259.26, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 259.0957 Da, a calculated LogP of 2.22, a topological polar surface area of 85.76 Ų. It presents 2 hydrogen-bond donors and 3 acceptors. The structure carries 2 defined stereocentres, 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)
- 2.22
- Topological polar surface area
- 85.76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Rings
- 3
- Defined stereocentres
- 2
- Elemental composition
- C 60.23% · H 5.05% · N 16.21% · O 18.51%
Frequently asked questions
Does 1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic 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 1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid uniquely identified?
The InChIKey GIRHIRGKYLQEQN-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 1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic 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 1-methyl-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic 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.