Basic information
- CAS
333344-92-6- Standard SMILES
C=CCC1C=CCC(CC=C)N1C(=O)c1ccccc1[N+](=O)[O-]- InChIKey
NFAXFQGMLZCARZ-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- 2,6-Diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
- IUPAC
- [2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-nitrophenyl)methanone
- English name
- 2,6-diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridine
- Molecular formula
- C18H20N2O3
- Molecular weight
- 312.36
Names & synonyms
2,6-diallyl-1-{2-nitrobenzoyl}-1,2,3,6-tetrahydropyridineNFAXFQGMLZCARZ-UHFFFAOYSA-NOprea1_326439MLS000702011CHEMBL1347817HMS2560M05AKOS000485562AKOS016352068[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-nitrophenyl)methanoneSMR000228584AN-329/12072597SR-01000220225
Show more names
Methanone, (3,6-dihydro-2,6-di-2-propen-1-yl-1(2H)-pyridinyl)(2-nitrophenyl)-
SR-01000220225-12,6-Diallyl-1-(2-nitrobenzoyl)-1,2,3,6-tetrahydropyridine #Pyridine, 1,2,3,6-tetahydro-2,6-diallyl-1-(2-nitrobenzoyl)-333344-92-6
Database identifiers
- CAS
333344-92-6- ChEMBL
CHEMBL1347817
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 459.8 · 459.8±45.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- pka
- -2.49 · -2.49±0.60(Predicted)
Chemistry & industry
Suppliers2 total
ARONIS[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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