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Caproxamine sulfate

CAT: 0931-T202709-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202709-02Size:50 mg
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CAS Number
53078-45-8
Bioactivity
Caproxamine, a derivative of 2-aminoethyl oxime, has a significant impact on the central nervous system.
Smiles
S(=O)(=O)(O)O.C(\CCCCC)(=N\OCCN)/C1=CC(N)=C(C)C=C1
Molecular Formula
C15H25N3O xH2O4S
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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