2-Acetyl-1,4,5,6-tetrahydropyridine
Basic information
- CAS
25343-57-1- Standard SMILES
CC(=O)C1=CCCCN1- InChIKey
HRAOWRVFLSYJKN-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Overview
6-acetyl-1,2,3,4-tetrahydropyridine is a tetrahydropyridine bearing an acetyl group in the 6 position. It is the tautomer of CHEBI:59533. It is a tautomer of a 6-acetyl-2,3,4,5-tetrahydropyridine.
Names & identifiers
- Preferred name
- 2-Acetyl-1,4,5,6-tetrahydropyridine
- IUPAC
- 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone
- English name
- 2-acetyl-1,4,5,6-tetrahydropyridine,2-acetyl-1,4,5,6-tetrahydropyridine,1-(1,4,5,6-tetrahydro-2-pyridinyl)-ethanone
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
25343-57-12-Acetyl-1,4,5,6-tetrahydropyridine1-(1,4,5,6-tetrahydropyridin-2-yl)ethanone2-Acetyltetrahydropyridine6-acetyl-1,2,3,4-tetrahydropyridine1-(1,2,3,4-tetrahydropyridin-6-yl)ethanoneCHEBI:595346-ATHP cpdRefChem:909471DTXCID301376427801-081-2DTXSID90948189
Show more names
2-acetyl-1,4,5,6-tetrahydropyridine,2-acetyl-1,4,5,6-tetrahydropyridine,1-(1,4,5,6-tetrahydro-2-pyridinyl)-ethanone
Ethanone, 1-(1,4,5,6-tetrahydro-2-pyridinyl)-1-(1,4,5,6-tetrahydropyridin-2-yl)ethan-1-one1,4,5,6-Tetrahydro-2-acetopyridineSCHEMBL2130103HRAOWRVFLSYJKN-UHFFFAOYSA-NAKOS0063126681-(1,4,5,6-Tetrahydro-2-pyridinyl)ethanone #Q27126768
Database identifiers
- CAS
25343-57-1- PubChem CID
- 520194
- ChEBI
CHEBI:59534- EC Number
- 801-081-2
- Nikkaji
- J535.640G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 269 ℃ · 269℃
- Density
- 1.001 · 1.001
- Flash point
- 129 ℃ · 129℃
- pka
- 6.82 · 6.82±0.40(Predicted)
- Odor
- caramellic
- Odor Type
- caramellic
- LogP
- -0.246 · -0.246 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Additional notes
DefinitionChEBI: A tetrahydropyridine bearing an acetyl group in the 6 position. It is the tautomer of CHEBI:59533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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