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Caproxamine sulfate

CAT: 0013-GTR19241826-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241826-02Size:10 mg
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Description
Caproxamine, a 2-aminoethyl oxime derivative, is a small molecule compound with notable central nervous system activity. It is utilized in neuroscience research for in vitro and in vivo studies investigating neurochemical pathways and pharmacological effects.
CAS Number
53078-45-8
Smiles
S (=O) (=O) (O) O.C (\CCCCC) (=N\OCCN) /C1=CC (N) =C (C) C=C1
Molecular Formula
C15H25N3O xH2O4S
Molecular Weight
263.38 (free base)
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Caproxamine sulfate
CAS Number53078-45-8
PubChem CID123133490
IUPAC Name5-[(E)-N-(2-aminoethoxy)-C-pentylcarbonimidoyl]-2-methylaniline;sulfuric acid
Molecular FormulaC15H27N3O5S
Molecular Weight361.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity349
SMILES
CCCCC/C(=N\OCCN)/C1=CC(=C(C=C1)C)N.OS(=O)(=O)O
InChI
InChI=1S/C15H25N3O.H2O4S/c1-3-4-5-6-15(18-19-10-9-16)13-8-7-12(2)14(17)11-13;1-5(2,3)4/h7-8,11H,3-6,9-10,16-17H2,1-2H3;(H2,1,2,3,4)/b18-15+;
InChIKey
USUFZOMJDUWKKP-FLNCGGNMSA-N
Chemical Structure
2D Structure
2D structure of Caproxamine sulfate
CAS: 53078-45-8
CID: 123133490
Formula: C15H27N3O5S
MW: 361.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass361.16714214
Monoisotopic Mass361.16714214
Topological Polar Surface Area157 Ų
Heavy Atom Count24
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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