N, N-Diethylacetoacetamide

CAT: 0024-sc-357395ASize: 250 gDry Ice: NoHazardous: No

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CAT#:0024-sc-357395ASize:250 g

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CAS Number

2235-46-3

Chemical Information

Acetoacetamide, N,N-diethyl-

CAS Number	2235-46-3
PubChem CID	16699
IUPAC Name	N,N-diethyl-3-oxobutanamide
Molecular Formula	C8H15NO2
Molecular Weight	157.21
XLogP	0.3
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	150

SMILES

CCN(CC)C(=O)CC(=O)C

InChI

InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

InChIKey

NTMXFHGYWJIAAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2235-46-3

CID: 16699

Formula: C8H15NO2

MW: 157.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.21
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	157.110278721
Monoisotopic Mass	157.110278721
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-222018A	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-255378A	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-476186	N, N, N'', N''-Tetraisopropyldiethylenetriamine
sc-475569	N, N, N', N'-Tetrapropylmalonamide
sc-279842	N, N, N', N'-Tetramethylsulfonamide
sc-255377	N, N, N', N'-Tetramethylguanidine
sc-250531	N, N, N', N'-Tetramethylurea

Catalog	Name
458887-01	N-Diethylacetoacetamide
TRC-D442085-250MG	N,N-Diethylacetoacetamide
OR1029788-01	N, N-Diethylacetoacetamide
C11022-01	2-Chloro-N, N-diethylacetoacetamide
OR1043862-01	2-Chloro-NN-diethylacetoacetamide
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
297193-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine