5977-14-0,MFCD00025528
Catalog No.:AA0034CN

5977-14-0 | Acetoacetamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$24.00   $17.00
- +
100g
98%
in stock  
$70.00   $49.00
- +
500g
98%
in stock  
$212.00   $148.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0034CN
Chemical Name:
Acetoacetamide
CAS Number:
5977-14-0
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
MDL Number:
MFCD00025528
SMILES:
CC(=O)CC(=O)N
NSC Number:
632231
Properties
Properties
 
BP:
271 °C at 760 mmHg  
Form:
Solid  
MP:
53-56°C(lit.);  
Solubility:
water: soluble1g/10 mL, clear, colorless  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
97.9  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1  

Literature

Title: Organic synthesis using (diacetoxyiodo)benzene (DIB): Unexpected and novel oxidation of 3-oxo-butanamides to 2,2-dihalo-N-phenylacetamides.

Journal: Beilstein journal of organic chemistry 20120101

Title: 4-Nitro-N-(4-nitro-benzo-yl)benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: Complete genome sequence of Ilyobacter polytropus type strain (CuHbu1).

Journal: Standards in genomic sciences 20101231

Title: 3-Acetyl-5-methyl-1-(4-methyl-phen-yl)-1H-pyrazole-4-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Dimerization of acetoacetamide leading to 5-carbamoyl-4,6-dimethyl-2-pyridone.

Journal: Journal of oleo science 20080101

Title: 4-Methyl-1-phenyl-quinolin-2(1H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Tautomeric and conformational properties of acetoacetamide: electron diffraction and quantum chemical study.

Journal: The Journal of organic chemistry 20060707

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SDS
Tags:5977-14-0 Molecular Formula|5977-14-0 MDL|5977-14-0 SMILES|5977-14-0 Acetoacetamide
Catalog No.: AA0034CN
5977-14-0,MFCD00025528
5977-14-0 | Acetoacetamide
Pack Size: 25g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 100g
Purity: 98%
in stock
$70.00 $49.00
Pack Size: 500g
Purity: 98%
in stock
$212.00 $148.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0034CN
Chemical Name: Acetoacetamide
CAS Number: 5977-14-0
Molecular Formula: C4H7NO2
Molecular Weight: 101.1039
MDL Number: MFCD00025528
SMILES: CC(=O)CC(=O)N
NSC Number: 632231
Properties
BP: 271 °C at 760 mmHg  
Form: Solid  
MP: 53-56°C(lit.);  
Solubility: water: soluble1g/10 mL, clear, colorless  
Storage: Room Temperature;  
Complexity: 97.9  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1  
Literature fold

Title: Organic synthesis using (diacetoxyiodo)benzene (DIB): Unexpected and novel oxidation of 3-oxo-butanamides to 2,2-dihalo-N-phenylacetamides.

Journal: Beilstein journal of organic chemistry20120101

Title: 4-Nitro-N-(4-nitro-benzo-yl)benzamide.

Journal: Acta crystallographica. Section E, Structure reports online20110501

Title: Complete genome sequence of Ilyobacter polytropus type strain (CuHbu1).

Journal: Standards in genomic sciences20101231

Title: 3-Acetyl-5-methyl-1-(4-methyl-phen-yl)-1H-pyrazole-4-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online20101101

Title: Dimerization of acetoacetamide leading to 5-carbamoyl-4,6-dimethyl-2-pyridone.

Journal: Journal of oleo science20080101

Title: 4-Methyl-1-phenyl-quinolin-2(1H)-one.

Journal: Acta crystallographica. Section E, Structure reports online20080101

Title: Tautomeric and conformational properties of acetoacetamide: electron diffraction and quantum chemical study.

Journal: The Journal of organic chemistry20060707

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