Methyl 5-morpholinonicotinate
Basic information
- CAS
500865-54-3- Standard SMILES
COC(=O)c1cncc(N2CCOCC2)c1- InChIKey
JKKSUVYKLLZBOJ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- Methyl 5-morpholinonicotinate
- IUPAC
- methyl 5-morpholin-4-ylpyridine-3-carboxylate
- English name
- Methyl 5-Morpholinonicotinate
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
methyl 5-morpholinonicotinate500865-54-3methyl 5-morpholin-4-ylpyridine-3-carboxylatemethyl 5-(morpholin-4-yl)pyridine-3-carboxylateMethyl5-morpholinonicotinateNSC608547SCHEMBL664858DTXSID00326676JKKSUVYKLLZBOJ-UHFFFAOYSA-Nmethyl 5-morpholin-4-ylnicotinatemethyl 5-morpholin-4-yl-nicotinateNSC-608547
Show more names
3-Pyridinecarboxylic acid, 5-(4-morpholinyl)-, methyl ester
DB-298038
Database identifiers
- CAS
500865-54-3- PubChem CID
- 355238
- DTXSID
DTXSID00326676
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 383.5 · 383.5±42.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.77 · 4.77±0.22(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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