AG008R59

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CAS Number	1082951-62-9
Catalog Number	AG008R59(AGN-PC-0WBOJA)
Chemical Name	HDMC
IUPAC Name	[(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate
InChI	InChI=1S/C13H17ClN5O2.F6P/c1-16(2)13(17-5-7-21-8-6-17)18-11-4-3-10(14)9-12(11)19(20)15-18;1-7(2,3,4,5)6/h3-4,9H,5-8H2,1-2H3;/q+1;-1
InChI Key	MGRTWUAUKJMOER-UHFFFAOYSA-N
MDL Number	MFCD16875663
Molecular Formula	C13H17ClF6N5O2P
Molecular Weight	455.7236
SMILES	C[N+](C)=C(N3N=[N+]([O-])C2=CC(Cl)=CC=C23)/N1CCOCC1.F[P-](F)(F)(F)(F)F
Synonyms	HDMC, 1082951-62-9, 5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate(V), 5-Chloro-1-[(dimethyliminio)(morpholino)methyl]-1H-benzo[d][1,2,3]triazole 3-Oxide Hexafluorophosphate(V), 6-HDMCB, DTXSID00746375, HDMC, >=95%, SY129705, MFCD16875663 (95%), (5-Chloro-3-oxo-1H-1lambda~5~,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate, N-[(5-Chloro-3-oxido-1H-benzotriazol-1-yl)-4-morpholinylmethylene]-N-methylmethanaminium hexafluorophosphate,

Complexity	474
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	455.071g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	455.726g/mol
Monoisotopic Mass	455.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited