2,5-Dimethyl-1-(3-morpholin-4-yl-propyl)-1H-pyrrole-3-carbaldehyde
Basic information
- CAS
887694-87-3- Standard SMILES
Cc1cc(C=O)c(C)n1CCCN1CCOCC1- InChIKey
CXROXHIDJODXFK-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-(3-morpholin-4-yl-propyl)-1H-pyrrole-3-carbaldehyde
- IUPAC
- 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carbaldehyde
- English name
- AKOS BC-2763
- Molecular formula
- C14H22N2O2
- Molecular weight
- 250.34
Names & synonyms
887694-87-32,5-Dimethyl-1-(3-morpholin-4-yl-propyl)-1H-pyrrole-3-carbaldehyde2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carbaldehyde2,5-Dimethyl-1-(3-morpholinopropyl)-1H-pyrrole-3-carbaldehyde2,5-dimethyl-1-[3-(morpholin-4-yl)propyl]-1H-pyrrole-3-carbaldehydeBBL026410MFCD07400632SBB011940STL381745AKOS000113803VS-08296CS-0330550
Show more names
AKOS BC-2763TIMTEC-BB SBB0119401H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-[3-(4-morpholinyl)propyl]-
ST503175772,5-dimethyl-1-(3-morpholinopropyl)pyrrole-3-carbaldehyde
Database identifiers
- CAS
887694-87-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 406.8 · 406.8±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 6.88 · 6.88±0.10(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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