2-Pyrimidineacetonitrile


Chemical Name: 2-Pyrimidineacetonitrile
CAS Number: 59566-45-9
Product Number: AG0037FO(AGN-PC-00ONWP)
Synonyms:
MDL No:
Molecular Formula: C6H5N3
Molecular Weight: 119.1240

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
119.127g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
119.048g/mol
Monoisotopic Mass:
119.048g/mol
Topological Polar Surface Area:
49.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
118
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:
Danger
UN#:
3439
Hazard Statements:
H302+H312-H331
Precautionary Statements:
P261-P302+P352
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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