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Synthalin sulfate

CAT: 0024-sc-200476Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-200476Size:10 mg
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CAS Number
111-23-9

Chemical Information

N,N'''-1,10-Decanediylbis(guanidine)

Synthalin A is a member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions. It has a role as a hypoglycemic agent, a hepatotoxic agent and a nephrotoxic agent. It is a conjugate base of a synthalin A(2+). It derives from a hydride of a decane.

CAS Number111-23-9
PubChem CID66977
IUPAC Name2-[10-(diaminomethylideneamino)decyl]guanidine
Molecular FormulaC12H28N6
Molecular Weight256.39
XLogP0.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count18
Formal Charge0
Complexity215
SMILES
C(CCCCCN=C(N)N)CCCCN=C(N)N
InChI
InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)
InChIKey
OZZMUVKANAPKGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'''-1,10-Decanediylbis(guanidine)
CAS: 111-23-9
CID: 66977
Formula: C12H28N6
MW: 256.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.39
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass256.23754492
Monoisotopic Mass256.23754492
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes