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Guanethidine (sulfate)

CAT: 0607-B8683-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-B8683-1000Size:1 g
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CAS Number
645-43-2
Product Name Alternative
1-(2-(azocan-1-yl)ethyl)guanidine sulfate
Field of Research
Biochemical Reagent Others
Purity
0.98
Solubility
insoluble in DMSO; insoluble in EtOH; ≥12.75 mg/mL in H2O
Smiles
NC(NCCN1CCCCCCC1)=N.O=S(O)(O)=O
Molecular Formula
C10H24N4O4S
Molecular Weight
296.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Guanethidine Monosulfate

See also: Guanethidine (has active moiety); Guanethidine Sulfate (related).

CAS Number645-43-2
PubChem CID86471
IUPAC Name2-[2-(azocan-1-yl)ethyl]guanidine;sulfuric acid
Molecular FormulaC10H24N4O4S
Molecular Weight296.39
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity248
SMILES
C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O
InChI
InChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKey
YUFWAVFNITUSHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guanethidine Monosulfate
CAS: 645-43-2
CID: 86471
Formula: C10H24N4O4S
MW: 296.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.39
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass296.15182643
Monoisotopic Mass296.15182643
Topological Polar Surface Area151 Ų
Heavy Atom Count19
Formal Charge0
Complexity248
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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