Basic information
- CAS
16867-45-1- Standard SMILES
CC(=O)CC(=O)Nc1cc(C)ccn1- InChIKey
LYKNMRJOZGSSPV-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- 2-Acetoacetamido-4-methylpyridine
- IUPAC
- N-(4-methyl-2-pyridinyl)-3-oxobutanamide
- English name
- N-(4-methylpyridin-2-yl)-3-oxobutanamide
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
16867-45-12-Acetoacetamido-4-MethylpyridineRefChem:462785653-992-8N-(4-methylpyridin-2-yl)-3-oxobutanamideN-(4-methyl-2-pyridyl)-3-oxo-butanamideN-(4-Methyl-2-pyridyl)acetoacetamideSCHEMBL5197796LYKNMRJOZGSSPV-UHFFFAOYSA-NMFCD00087560AKOS006343060AS-64625
Show more names
N-(4-Methyl-2-pyridinyl)-3-oxobutanamideButanamide, N-(4-methyl-2-pyridinyl)-3-oxo-
N-(4-methyl(2-pyridyl))-3-oxobutanamideDB-032341CS-0328560ST50444647N-(4-Methyl-pyridin-2-yl)-3-oxo-butyramideL10176
Database identifiers
- CAS
16867-45-1- PubChem CID
- 459529
- EC Number
- 653-992-8
- Nikkaji
- J1.378.827H
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
Physicochemical properties
- Melting point
- 122 · 122-123℃
- Boiling point
- 407.6 · 407.6±35.0 °C(Predicted)
- Density
- 1.185 · 1.185
- pka
- 10.71 · 10.71±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
雷丁试剂0510-85629785 18013409632 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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