iMatinibrelatedsubstanceB


Chemical Name: iMatinibrelatedsubstanceB
CAS Number: 571186-93-1
Product Number: AG003QZD(AGN-PC-0WADHJ)
Synonyms:
MDL No:
Molecular Formula: C29H31N7O3
Molecular Weight: 525.6015

Identification/Properties


Properties
MP:
209-211C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
525.613g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
525.249g/mol
Monoisotopic Mass:
525.249g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
800
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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