5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile


Chemical Name: 5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
CAS Number: 1082745-49-0
Product Number: AG0038BY(AGN-PC-0687IO)
Synonyms:
MDL No:
Molecular Formula: C9H12N4O
Molecular Weight: 192.2178

Identification/Properties


Computed Properties
Molecular Weight:
192.222g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
192.101g/mol
Monoisotopic Mass:
192.101g/mol
Topological Polar Surface Area:
76.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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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