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32514-47-9 | 1,3-Diphenylguanidine hemisulfate
CAS No: 32514-47-9 Catalog No: AG003DL0 MDL No:MFCD00060241
Product Description
Catalog Number:
AG003DL0
Chemical Name:
1,3-Diphenylguanidine hemisulfate
CAS Number:
32514-47-9
Molecular Formula:
C26H28N6O4S
Molecular Weight:
520.6033
MDL Number:
MFCD00060241
IUPAC Name:
1,2-diphenylguanidine;sulfuric acid
InChI:
InChI=1S/2C13H13N3.H2O4S/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10H,(H3,14,15,16);(H2,1,2,3,4)
InChI Key:
NVHDSDBOGGXRJV-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.N=C(Nc1ccccc1)Nc1ccccc1.N=C(Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.189g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
520.608g/mol
Monoisotopic Mass:
520.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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