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13922-04-8 | Guanidine, 1,1'-[(methylethanediylidene)dinitrilo]di-, sulfate (1:1) (8CI)
CAS No: 13922-04-8 Catalog No: AG001AIB MDL No:
Product Description
Catalog Number:
AG001AIB
Chemical Name:
Guanidine, 1,1'-[(methylethanediylidene)dinitrilo]di-, sulfate (1:1) (8CI)
CAS Number:
13922-04-8
Molecular Formula:
C5H14N8O4S
Molecular Weight:
282.2809
IUPAC Name:
2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine;sulfuric acid
InChI:
InChI=1S/C5H12N8.H2O4S/c1-3(11-13-5(8)9)2-10-12-4(6)7;1-5(2,3)4/h2H,1H3,(H4,6,7,12)(H4,8,9,13);(H2,1,2,3,4)
InChI Key:
QFMGTJJDGOIPAY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CC(=NNC(=N)N)C=NNC(=N)N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
282.279g/mol
Monoisotopic Mass:
282.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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