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Acoin

CAT: 0013-GTR19195936-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195936-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acoin is a biochemical compound utilized in research applications. It is employed in both in vitro and in vivo studies across biochemical and pharmacological research fields to investigate cellular mechanisms and metabolic pathways.
CAS Number
537-05-3
Smiles
Cl.N (C1=CC=C (OCC) C=C1) =C (NC2=CC=C (OC) C=C2) NC3=CC=C (OC) C=C3
Molecular Formula
C23H26ClN3O3
Molecular Weight
427.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acoin
CAS Number537-05-3
PubChem CID10827
IUPAC Name2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
Molecular FormulaC23H26ClN3O3
Molecular Weight427.9
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity450
SMILES
CCOC1=CC=C(C=C1)N=C(NC2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC.Cl
InChI
InChI=1S/C23H25N3O3.ClH/c1-4-29-22-15-9-19(10-16-22)26-23(24-17-5-11-20(27-2)12-6-17)25-18-7-13-21(28-3)14-8-18;/h5-16H,4H2,1-3H3,(H2,24,25,26);1H
InChIKey
ZQWBGSZBBGYKNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acoin
CAS: 537-05-3
CID: 10827
Formula: C23H26ClN3O3
MW: 427.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass427.1662694
Monoisotopic Mass427.1662694
Topological Polar Surface Area64.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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