3-(Methylnitrosamino)propionitrile
Impurity reference standard
- CAS number
- 60153-49-3
- InChIKey
- HZDLDFBKYBGNHG-UHFFFAOYSA-N
- Molecular formula
- C4H7N3O
- Molecular weight
- 113.12
- Exact mass
- 113.0589 Da
About 3-(Methylnitrosamino)propionitrile
3-(Methylnitrosamino)propionitrile is supplied as an analytical reference standard. It is registered under CAS number 60153-49-3.
The compound is characterised by its molecular formula C4H7N3O and a molecular weight of 113.12, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 113.0589 Da, a calculated LogP of 0.51, a topological polar surface area of 56.46 Ų. It presents 0 hydrogen-bond donors 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)
- 0.51
- Topological polar surface area
- 56.46 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Rings
- 0
- Elemental composition
- C 42.47% · H 6.24% · N 37.15% · O 14.14%
Frequently asked questions
Does 3-(Methylnitrosamino)propionitrile 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-(Methylnitrosamino)propionitrile uniquely identified?
The InChIKey HZDLDFBKYBGNHG-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-(Methylnitrosamino)propionitrile?
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-(Methylnitrosamino)propionitrile?
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.