Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-


Chemical Name: Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
CAS Number: 641569-94-0
Product Number: AG00H93O(AGN-PC-0N3VIH)
Synonyms:
MDL No:
Molecular Formula: C17H14N4O2
Molecular Weight: 306.3187

Identification/Properties


Properties
MP:
>257ºC (dec.)
BP:
587.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
306.325g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
306.112g/mol
Monoisotopic Mass:
306.112g/mol
Topological Polar Surface Area:
88A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
406
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


NMR Spectrum


Other Analytical Data


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