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2-CEC (hydrochloride)

CAT: 0804-HY-W715084-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W715084-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-CEC hydrochloride is structurally categorized as a drug derivative.
CAS Number
879660-23-8
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/2-chloroethcathinone-hydrochloride.html
Smiles
O=C(C(C)NCC)C1=C(Cl)C=CC=C1.Cl
Molecular Formula
C11H15Cl2NO
Molecular Weight
248.15
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Chloroethcathinone (hydrochloride)
CAS Number879660-23-8
PubChem CID137699703
IUPAC Name1-(2-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity196
SMILES
CCNC(C)C(=O)C1=CC=CC=C1Cl.Cl
InChI
InChI=1S/C11H14ClNO.ClH/c1-3-13-8(2)11(14)9-6-4-5-7-10(9)12;/h4-8,13H,3H2,1-2H3;1H
InChIKey
ZLOQLMSNDDSORZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroethcathinone (hydrochloride)
CAS: 879660-23-8
CID: 137699703
Formula: C11H15Cl2NO
MW: 248.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.15
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass247.0530695
Monoisotopic Mass247.0530695
Topological Polar Surface Area29.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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