Diacetamide

CAT: 0127-OR1043692-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043692-01Size:5 g

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CAS Number

625-77-4

Purity

97%

Chemical Information

Diacetamide

CAS Number	625-77-4
PubChem CID	12263
IUPAC Name	N-acetylacetamide
Molecular Formula	C4H7NO2
Molecular Weight	101.10
XLogP	-1.4
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	85

SMILES

CC(=O)NC(=O)C

InChI

InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)

InChIKey

ZSBDPRIWBYHIAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 625-77-4

CID: 12263

Formula: C4H7NO2

MW: 101.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.10
XLogP3	-1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	101.047678466
Monoisotopic Mass	101.047678466
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	85.9
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
BUP00458-01	Ingenol-3,4,5,20-diacetonide
OR1014976-01	Sodium 3,5-Diacetamido-2,4,6-TrIIodobenzoate
OR1063996	3,5-Diacetamido-2,4,6-triiodobenzoic acid dihydrate

Catalog	Name
GTR19267272-01	Diacetamide
HY-W130303S-01	Diacetamide-d7
D02430-01	Diacetamide 97%
sc-482227	N, N'- (1,2-Phenylene) diacetamide
RG-E200851-01	N, N'- (4-Ethoxy-1,3-Phenylene) Diacetamide
AR-A01398-01	N, N'- (5,7-dimethyl adamantane-1,3-diyl) diacetamide
AR-A01184-01	N, N'- (2-hydroxy-[1,1'-biphenyl]-4,4'-diyl) diacetamide