(2-hydroxy-2-phenylethyl)urea
Impurity reference standard
- CAS number
- 25017-52-1
- InChIKey
- KFSXBUYKLBCYQW-LJRSMJOYSA-N
- Molecular formula
- C12H19N6O12P
- Molecular weight
- 470.29
- Exact mass
- 470.0799 Da
About (2-hydroxy-2-phenylethyl)urea
(2-hydroxy-2-phenylethyl)urea is supplied as an analytical reference standard. It is registered under CAS number 25017-52-1.
The compound is characterised by its molecular formula C12H19N6O12P and a molecular weight of 470.29, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 470.0799 Da, a calculated LogP of -3.25, a topological polar surface area of 279.59 Ų. It presents 8 hydrogen-bond donors and 12 acceptors. The structure carries 5 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)
- -3.25
- Topological polar surface area
- 279.59 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Rings
- 2
- Defined stereocentres
- 5
- Elemental composition
- C 30.65% · H 4.07% · N 17.87% · O 40.82% · P 6.59%
Frequently asked questions
Does (2-hydroxy-2-phenylethyl)urea 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 (2-hydroxy-2-phenylethyl)urea uniquely identified?
The InChIKey KFSXBUYKLBCYQW-LJRSMJOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for (2-hydroxy-2-phenylethyl)urea?
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 (2-hydroxy-2-phenylethyl)urea?
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.