AG003DL0

32514-47-9 | 1,3-Diphenylguanidine hemisulfate

AG003DL0

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CAS Number	32514-47-9
Catalog Number	AG003DL0(AGN-PC-0O8XD7)
Chemical Name	1,3-Diphenylguanidine hemisulfate
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
MDL Number	MFCD00060241
Molecular Formula	C26H28N6O4S
Molecular Weight	520.6033
SMILES	N=C(NC1=CC=CC=C1)NC2=CC=CC=C2.O=S(O)(O)=O.N=C(NC3=CC=CC=C3)NC4=CC=CC=C4
Synonyms	32514-47-9, 1,3-Diphenylguanidine Sulfate, 1,3-Diphenylguanidine hemisulfate, 1,3-diphenylguanidinesulfate, MFCD00060241, AKOS027321008, ACM32514479, KS-0000162N, D1348,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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