1-Propene-1,1,3-tricarbonitrile, 2-amino-


Chemical Name: 1-Propene-1,1,3-tricarbonitrile, 2-amino-
CAS Number: 868-54-2
Product Number: AG003GC0(AGN-PC-0JKB4E)
Synonyms:
MDL No:
Molecular Formula: C6H4N4
Molecular Weight: 132.1228

Identification/Properties


Properties
MP:
171-173 °C (lit. )
BP:
591.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.7000 (estimate)
Computed Properties
Molecular Weight:
132.126g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
132.044g/mol
Monoisotopic Mass:
132.044g/mol
Topological Polar Surface Area:
97.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
278
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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