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Home > Other Heterocycles > 2847-69-0
2847-69-0 | Guanidine, N-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]oct-3-yl)ethyl]-, sulfate (1:?)
CAS No: 2847-69-0 Catalog No: AG002VGC MDL No:
Product Description
Catalog Number:
AG002VGC
Chemical Name:
Guanidine, N-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]oct-3-yl)ethyl]-, sulfate (1:?)
CAS Number:
2847-69-0
Molecular Formula:
C13H28N4O4S
Molecular Weight:
336.4508
IUPAC Name:
sulfuric acid;2-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
InChI:
InChI=1S/C13H26N4.H2O4S/c1-12(2)10-4-5-13(12,3)9-17(8-10)7-6-16-11(14)15;1-5(2,3)4/h10H,4-9H2,1-3H3,(H4,14,15,16);(H2,1,2,3,4)
InChI Key:
WODQGIOISXFCTG-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCCN1CC2CCC(C1)(C2(C)C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
336.451g/mol
Monoisotopic Mass:
336.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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