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20801-66-5 | p-Toluenesulfonamide, N-(benzylamidino)-, sulfate (2:1) (8CI)
CAS No: 20801-66-5 Catalog No: AG002JGJ MDL No:
Product Description
Catalog Number:
AG002JGJ
Chemical Name:
p-Toluenesulfonamide, N-(benzylamidino)-, sulfate (2:1) (8CI)
CAS Number:
20801-66-5
IUPAC Name:
2-benzyl-1-(4-methylphenyl)sulfonylguanidine;sulfuric acid
InChI:
InChI=1S/2C15H17N3O2S.H2O4S/c2*1-12-7-9-14(10-8-12)21(19,20)18-15(16)17-11-13-5-3-2-4-6-13;1-5(2,3)4/h2*2-10H,11H2,1H3,(H3,16,17,18);(H2,1,2,3,4)
InChI Key:
KOFMFHPUMNHSDV-UHFFFAOYSA-N
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
704.176g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
704.832g/mol
Monoisotopic Mass:
704.176g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
269A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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