methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide


Chemical Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CAS Number: 220127-57-1
Product Number: AG00350I(AGN-PC-0JLOJX)
Synonyms:
MDL No:
Molecular Formula: C30H35N7O4S
Molecular Weight: 589.7084

Identification/Properties


Properties
MP:
214-224°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
H2O: soluble10mg/mL, clear
Computed Properties
Molecular Weight:
589.715g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
7
Exact Mass:
589.247g/mol
Monoisotopic Mass:
589.247g/mol
Topological Polar Surface Area:
149A^2
Heavy Atom Count:
42
Formal Charge:
0
Complexity:
799
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



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