(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid


Chemical Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
CAS Number: 82956-11-4
Product Number: AG003SPE(AGN-PC-0LPWEJ)
Synonyms:
MDL No: MFCD00941430
Molecular Formula: C21H25N5O8S2
Molecular Weight: 539.5819

Identification/Properties


Properties
MP:
259-261°C
BP:
637.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
539.578g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
539.114g/mol
Monoisotopic Mass:
539.114g/mol
Topological Polar Surface Area:
266A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
645
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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