Ethanone, 1-(4-pyridinyl)-, oxime
Basic information
- CAS
1194-99-6- Standard SMILES
CC(=NO)c1ccncc1- InChIKey
OZJWWTXSMXGPMI-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Overview
See also: 4-Acetylpyridine oxime (annotation moved to).
Names & identifiers
- Preferred name
- Ethanone, 1-(4-pyridinyl)-, oxime
- IUPAC
- N-(1-pyridin-4-ylethylidene)hydroxylamine
- English name
- AKOS B006530
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
1194-99-6N-[1-(pyridin-4-yl)ethylidene]hydroxylamine1-(Pyridin-4-yl)ethanone oximeEthanone, 1-(4-pyridinyl)-, oxime1-(4-Pyridinyl)-1-ethanone oxime1-(4-pyridinyl)ethanone oxime1-Pyridin-4-yl-ethanone oxime(Z)-1-(pyridin-4-yl)ethanone oxime1-(4-pyridyl)ethanone oxime107492-79-5Ethanone,1-(4-pyridinyl)-, oximeSCHEMBL2954565
Show more names
ART-CHEM-BB B006530Methyl(4-pyridyl) ketoneoxime1-(Pyridine-4-yl)ethanone oxime4-[1-(Hydroxyimino)ethyl]pyridine(1Z)-1-pyridin-4-ylethanone oxime(1E)-1-Pyridin-4-ylethanone OximeEthanone, 1- (4-pyridinyl)-, oxime
DTXSID20922952AKOS B006530OZJWWTXSMXGPMI-UHFFFAOYSA-N(1E)-1-(4-pyridinyl)ethanone oximeAKOS017263782N-(1-pyridin-4-ylethylidene)hydroxylamineG80823
Database identifiers
- CAS
1194-99-6- PubChem CID
- 247997
- DTXSID
DTXSID20922952
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 156 · 156-157°
- Boiling point
- 277.1 · 277.1±13.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- 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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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