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Acetoacetamide

CAT: 1596-AR-A01147-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01147-06Size:250 Units
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CAS Number
5977-14-0
Synonyms
3-oxobutanamide; acetoacetamide;3-oxo-butanamid;3-oxobutanamide;3-oxo-butanamide; acetoaceticacidamide; acetylacetamide; alpha-acetylacetamide; acetyl acetomide; acetoacetamide purum; acetiacetamide; acetessigsaureamid; acetoacetamid;3-oxobutyramide; ?-oxobutanamide
Molecular Formula
C4H7NO2
Molecular Weight
101.11
API Name
Acetamide

Chemical Information

Acetoacetamide

Acetoacetamide is a monocarboxylic acid amide of acetoacetic acid. It is functionally related to an acetoacetic acid.

CAS Number5977-14-0
PubChem CID80077
IUPAC Name3-oxobutanamide
Molecular FormulaC4H7NO2
Molecular Weight101.10
XLogP-1
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity97
SMILES
CC(=O)CC(=O)N
InChI
InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
InChIKey
GCPWJFKTWGFEHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetoacetamide
CAS: 5977-14-0
CID: 80077
Formula: C4H7NO2
MW: 101.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight101.10
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass101.047678466
Monoisotopic Mass101.047678466
Topological Polar Surface Area60.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity97.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
abx183832-01Acetoacetamide
A03565-01Acetoacetamide 97%
HY-133842RAcetoacetamide (Standard)
OR19529N- (4-Methoxybenzyl) acetoacetamide
419071-012-Phenyl-acetoacetamide
D19538-01N, N-Diethyl acetoacetamide 97%
sc-235091Ethylenediamine-N, N'-bis (acetoacetamide)
abx185989-01N,N'-(1,4-Phenylene)bis(acetoacetamide)
sc-492819N, N'- (1,4-Phenylene) bis (acetoacetamide)

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