2-Morpholinopyrimidine-4-carbaldehyde
Basic information
- CAS
944900-35-0- Standard SMILES
O=Cc1ccnc(N2CCOCC2)n1- InChIKey
GBCDUCDSMVPGKL-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- 2-Morpholinopyrimidine-4-carbaldehyde
- IUPAC
- 2-morpholin-4-ylpyrimidine-4-carbaldehyde
- English name
- 2-Morpholin-4-yl-pyrimidine-4-carbaldehyde
- Molecular formula
- C9H11N3O2
- Molecular weight
- 193.2
Names & synonyms
944900-35-02-Morpholinopyrimidine-4-carbaldehyde2-Morpholin-4-yl-pyrimidine-4-carbaldehyde2-morpholin-4-ylpyrimidine-4-carbaldehyde2-(MORPHOLIN-4-YL)PYRIMIDINE-4-CARBALDEHYDESCHEMBL15630949DTXSID60652327AKOS012041552AB52717DB-1036774-Pyrimidinecarboxaldehyde, 2-(4-morpholinyl)-2-MORPHOLIN-4-YL-PYRIMIDINE-4-CARBALDEHYDE ISO 9001：2015 REACH
Database identifiers
- CAS
944900-35-0- PubChem CID
- 29939799
- DTXSID
DTXSID60652327
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C9H11N3O2/c13-7-8-1-2-10-9(11-8)12-3-5-14-6-4-12/h1-2,7H,3-6H2
- InChIKey
- GBCDUCDSMVPGKL-UHFFFAOYSA-N
- SMILES
- O=CC1=NC(N2CCOCC2)=NC=C1
- UNSPSC Code
- 12352005 · 12352005
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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