AG001L55

148720-07-4 | Benzoic acid, 4-[(aminoiminomethyl)amino]-, methanesulfonate (1:1)

AG001L55

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CAS Number	148720-07-4
Catalog Number	AG001L55(AGN-PC-0O3RUG)
Chemical Name	Benzoic acid, 4-[(aminoiminomethyl)amino]-, methanesulfonate (1:1)
IUPAC Name	4-(diaminomethylideneamino)benzoic acid;methanesulfonic acid
InChI	InChI=1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)
InChI Key	NGBBXMQQIAFCGF-UHFFFAOYSA-N
MDL Number	MFCD00191442
Molecular Formula	C9H13N3O5S
Molecular Weight	275.2816
SMILES	O=C(O)C1=CC=C(NC(N)=N)C=C1.CS(=O)(O)=O
Synonyms	4-Guanidinobenzoic Acid Methanesulfonate, 148720-07-4, 4-Guanidinobenzoic acid compound with methanesulfonic acid (1:1), ACMC-209d16, SCHEMBL7563601, CTK0G9627, DTXSID20659913, ANW-21160, MFCD00191442, AKOS030530749, TC-109905, G0248, 4-[(Diaminomethylidene)amino]benzoic acid--methanesulfonic acid (1/1),

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.058g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	275.279g/mol
Monoisotopic Mass	275.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	164A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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