2-Acetoacetamido-3-methylpyridine
Basic information
- CAS
196407-97-3- Standard SMILES
CC(=O)CC(=O)Nc1ncccc1C- InChIKey
VEHGQEGILVGGNB-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- 2-Acetoacetamido-3-methylpyridine
- IUPAC
- N-(3-methyl-2-pyridinyl)-3-oxobutanamide
Names & synonyms
NSC1664042-ACETOACETAMIDO-3-METHYLPYRIDINEAKOS006342808NSC-166404
Database identifiers
- CAS
196407-97-3- PubChem CID
- 296328
- EC Number
- 118-598-8
- Nikkaji
- J1.378.826J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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