Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-


Chemical Name: Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-
CAS Number: 244767-67-7
Product Number: AG002O9Y(AGN-PC-09M8YT)
Synonyms:
MDL No:
Molecular Formula: C20H19N5
Molecular Weight: 329.3984

Identification/Properties


Properties
MP:
218-222°C
BP:
557.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
329.407g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
329.164g/mol
Monoisotopic Mass:
329.164g/mol
Topological Polar Surface Area:
73.6A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
452
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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