1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
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Basic information
- CAS
3451-88-5- Standard SMILES
CC(=O)N1C=CC(C2C=CN(C(C)=O)C=C2)C=C1- InChIKey
BODPPTYPIPEJTD-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Overview
RN not in Chemline 4/87; RN from Toxline; structure given in first source
Names & identifiers
- Preferred name
- 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
- IUPAC
- 1-[4-(1-acetyl-4H-pyridin-4-yl)-4H-pyridin-1-yl]ethanone
- English name
- 1,1'-diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
- Molecular weight
- 0
Names & synonyms
Dathbp3451-88-51,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridineBAN1WCJ5SXNSC-254125DTXSID501880694,4'-Bipyridine, 1,1'-diacetyl-1,1',4,4'-tetrahydro-RefChem:70783DTXCID301105601-[4-(1-acetyl-4H-pyridin-4-yl)-4H-pyridin-1-yl]ethanone1,1'-(4,4'-bipyridine-1,1'(4h,4'h)-diyl)diethanoneNSC 254125
Show more names
UNII-BAN1WCJ5SXNSC254125DS-008554BIS(1-ACETYL-1,4-DIHYDROPYRIDIN-4-YL)N,N'-DIACETYL-1,1',4,4'-TETRAHYDROBIPYRIDINE1,1'-([4,4'-Bipyridine]-1,1'(4H,4'H)-diyl)di(ethan-1-one)1,1'-(4,4'-BIPYRIDINE)-1,1'(4H,4'H)-DIYLBIS(ETHANONE)ETHANONE, 1,1'-(4,4'-BIPYRIDINE)-1,1'(4H,4'H)-DIYLBIS-
Database identifiers
- CAS
3451-88-5- PubChem CID
- 99634
- DTXSID
DTXSID50188069- UNII
- BAN1WCJ5SX
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- FDA UNII
- 1 WCJ5SX · BAN1WCJ5SX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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