Basic information
- CAS
20306-75-6- Standard SMILES
CNC(=O)CC(C)=O- InChIKey
ATWLCPHWYPSRBQ-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Overview
N-Methylacetoacetamide is a fatty amide.
Names & identifiers
- Preferred name
- N-Methylacetoacetamide
- IUPAC
- N-methyl-3-oxobutanamide
- English name
- N-Methylacetoacetamide
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
N-MethylacetoacetamideN-methyl-3-oxobutanamide20306-75-6Butanamide, N-methyl-3-oxo-Acetoacet-monomethylamideN-MonomethylacetoacetamideSD 9112Acetoacetamide, N-methyl-EINECS 243-723-9UNII-PWE9P6V839PWE9P6V839DTXSID9040138
Show more names
AAMAMMAAca.65%inwaterArbidol Impurity 7(ca. 70% in Water)AcetoacetmethylamideN-MethylacetoacetamidAcetoN-methylacetamideAcetoacetylmethylamine
2-ACETYL-N-METHYLACETAMIDERefChem:163785DTXCID7020138243-723-9N-Methyl acetoacetylamideMFCD00044026N-Methylacetoacetamide (ca. 70% in Water)N-Methyl-3-oxobutyramide
Database identifiers
- CAS
20306-75-6- PubChem CID
- 88483
- DTXSID
DTXSID9040138- ChEBI
CHEBI:182627
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -3 °C · -3 °C
- Boiling point
- 106 °C · 106°C
- Density
- 1.069 · 1.069
- refractive index
- 1.4325 · 1.4325-1.4345
- Flash point
- 105 °C · 105 °C
- storage temp.
- 2 · 2-8°C
- solubility
- hydrolysis
- form
- clear liquid
- pka
- 12.79 · 12.79±0.46(Predicted)
- color
- Light yellow to Yellow to Orange
- Water Solubility
- hydrolysis
- CAS DataBase Reference
- 20306 · 20306-75-6(CAS DataBase Reference)
- FDA UNII
- 9 P6V839 · PWE9P6V839
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
This chemical does not meet GHS hazard criteria for 57.8% (52 of 90) of all reports.
Warning
H312 (42.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P280, P302+P352, P317, P321, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 90 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanamide, N-methyl-3-oxo-
Butanamide, N-methyl-3-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (42.2%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-methyl-3-oxo-: ACTIVE
Applications
UsesN-Methylacetoacetamide (min. 70% in water) (MMAA) is used as intermediate for the manufacture of insecticides, e.g. monocrotophos Product Data Sheet
UsesN-Methylacetoacetamide is a starting material in the synthesis of 1-Carbamoyl-2-oxopropyl acetate with the aid (diacetoxyiodo)benzene (DIB) as the oxidant. Also, it is a reagent used in the synthesis of 10H-Phenothiazines, which possesses for their biological activity against the regulatory enzymes involved in inflammatory diseases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers77 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司
Related reactions
3 records
Compound notes
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