N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide


Chemical Name: N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide
CAS Number: 73857-20-2
Product Number: AG008PWD(AGN-PC-0JL59N)
Synonyms:
MDL No:
Molecular Formula: C13H22N4O4S
Molecular Weight: 330.4032

Identification/Properties


Computed Properties
Molecular Weight:
330.403g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
330.136g/mol
Monoisotopic Mass:
330.136g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
387
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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