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Arcaine Sulfate

CAT: 0572-TRC-A766583-40MGSize: 40 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A766583-40MGSize:40 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14923-17-2
Synonyms
1,1'-Tetramethylenediguanidine sulfate (1:1); 1,4-Diguanidinobutane sulfate
Hazard Statement
No Data Available
Smiles
NC(=N)NCCCCNC(=N)N.OS(=O)(=O)O
Molecular Formula
C6 H16 N6 . H2 O4 S
Molecular Weight
270.31
InChI
InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
Additionnal Information
IUPAC name: 1-(4-carbamimidamidobutyl)guanidine;sulfuric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Guanidine, N,N'''-1,4-butanediylbis-, sulfate
CAS Number14923-17-2
PubChem CID119020
IUPAC Name2-[4-(diaminomethylideneamino)butyl]guanidine;sulfuric acid
Molecular FormulaC6H18N6O4S
Molecular Weight270.31
Topological Polar Surface Area212
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity226
SMILES
C(CCN=C(N)N)CN=C(N)N.OS(=O)(=O)O
InChI
InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
InChIKey
RWTGFMPOODRXIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guanidine, N,N'''-1,4-butanediylbis-, sulfate
CAS: 14923-17-2
CID: 119020
Formula: C6H18N6O4S
MW: 270.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass270.11102425
Monoisotopic Mass270.11102425
Topological Polar Surface Area212 Ų
Heavy Atom Count17
Formal Charge0
Complexity226
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