2,4-Diethoxypyrimidine
Basic information
- CAS
20461-60-3- Standard SMILES
CCOc1ccnc(OCC)n1- InChIKey
REZCUNDZKVUACL-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 2,4-Diethoxypyrimidine
- IUPAC
- 2,4-diethoxypyrimidine
- English name
- 2,4-DIETHOXYPYRIMIDINE
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
2,4-Diethoxypyrimidine20461-60-3Pyrimidine, 2,4-diethoxy-MFCD00056029NSC136892,4-DiethoxypyrimidinatoCBDivE_0121162,4-Diethoxypyrimidine ,98%SCHEMBL2068464SCHEMBL3817284SCHEMBL9480287DTXSID80942636
Show more names
RMA-803NSC 13689NSC-13689AKOS006273252SB55945AS-77119DB-066217CS-0109861
Database identifiers
- CAS
20461-60-3- PubChem CID
- 224854
- DTXSID
DTXSID80942636- Nikkaji
- J1.422.357F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 270.3 · 270.3±32.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.73 · 2.73±0.20(Predicted)
- Safety Statements
- 24 · 24/25
- HS Code
- 29335990 · 29335990
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
- hs_code
- 29335990
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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