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2044-64-6 molecular structure
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N,N-dimethyl-3-oxobutanamide

ChemBase ID: 111768
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
CN(C)C(=O)CC(=O)C
Canonical SMILES:
CC(=O)CC(=O)N(C)C
InChI:
InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
InChIKey:
YPEWWOUWRRQBAX-UHFFFAOYSA-N

Cite this record

CBID:111768 http://www.chembase.cn/molecule-111768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-3-oxobutanamide
IUPAC Traditional name
N,N-dimethyl-3-oxobutanamide
Synonyms
N,N-DIMETHYL ACETOACETAMIDE
N,N-Dimethyl-3-oxobutyramide
N,N-Dimethylacetoacetamide solution
N,N-Dimethyl-3-oxobutanamide
DMAA
N,N-二甲基-3-氧代丁酰胺
N,N-二甲基乙酰基乙酰胺 溶液
CAS Number
2044-64-6
MDL Number
MFCD00038243
Beilstein Number
1755038
PubChem SID
162097293
24846860
24878216
PubChem CID
16278

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.304135  H Acceptors
H Donor LogD (pH = 5.5) -0.3610829 
LogD (pH = 7.4) -0.36113635  Log P -0.36108223 
Molar Refractivity 34.1545 cm3 Polarizability 13.094803 Å3
Polar Surface Area 37.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
APHA: ≤350 expand Show data source
Boiling Point
105 °C expand Show data source
Flash Point
122 °C expand Show data source
251.6 °F expand Show data source
Density
1.067 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.447 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
51/53 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Hazard statements
H411 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
79.0-83.0% (calculated) expand Show data source
95+% expand Show data source
Concentration
80% in H2O expand Show data source
80% in H2O (GC) expand Show data source
Grade
Lonza quality expand Show data source
produced by Wacker expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.05% dimethylamine expand Show data source
Cation Traces
Fe: ≤3 mg/kg expand Show data source
Linear Formula
CH3COCH2CON(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220855 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 537373 external link
Packaging
2 L in glass bottle
500 mL in glass bottle
Sigma Aldrich - 407054 external link
Packaging
Packaged in glass bottles
Sigma Aldrich - 10909 external link
Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle
Sigma Aldrich - 690848 external link
Packaging
1 kg in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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