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Adipic dianilide

CAT: 0013-GTR19195908-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195908-01Size:25 mg
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Description
Adipic dianilide is a synthetic small molecule compound utilized in biochemical research. It serves as a chemical intermediate and has been investigated in vitro for its potential effects on cellular processes relevant to metabolic and polymer studies.
CAS Number
4456-80-8
Smiles
O=C (NC=1C=CC=CC1) CCCCC (=O) NC=2C=CC=CC2
Molecular Formula
C18H20N2O2
Molecular Weight
296.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adipic dianilide
CAS Number4456-80-8
PubChem CID20523
IUPAC NameN,N'-diphenylhexanediamide
Molecular FormulaC18H20N2O2
Molecular Weight296.4
XLogP2.6
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity311
SMILES
C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)
InChIKey
QZLPDBKEVWFQNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adipic dianilide
CAS: 4456-80-8
CID: 20523
Formula: C18H20N2O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass296.152477885
Monoisotopic Mass296.152477885
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity311
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

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