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3-EEC hydrochloride

CAT: 0013-GTR19273462-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273462-01Size:50 mg
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Description
3-EEC hydrochloride is the hydrochloride salt form of 3-EEC, a compound categorized as a central nervous system stimulant. It may be utilized in research related to neurological disorders.
CAS Number
2446466-61-9
Smiles
Cl.O=C (C1=CC=CC (=C1) CC) C (NCC) C
Molecular Formula
C13H20ClNO
Molecular Weight
241.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Ethylamino)-1-(3-ethylphenyl)propan-1-one,monohydrochloride
CAS Number2446466-61-9
PubChem CID137699728
IUPAC Name2-(ethylamino)-1-(3-ethylphenyl)propan-1-one;hydrochloride
Molecular FormulaC13H20ClNO
Molecular Weight241.76
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity203
SMILES
CCC1=CC(=CC=C1)C(=O)C(C)NCC.Cl
InChI
InChI=1S/C13H19NO.ClH/c1-4-11-7-6-8-12(9-11)13(15)10(3)14-5-2;/h6-10,14H,4-5H2,1-3H3;1H
InChIKey
MLGXJAFYPGFRER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Ethylamino)-1-(3-ethylphenyl)propan-1-one,monohydrochloride
CAS: 2446466-61-9
CID: 137699728
Formula: C13H20ClNO
MW: 241.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass241.1233420
Monoisotopic Mass241.1233420
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity203
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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