1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-


Chemical Name: 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-
CAS Number: 54711-21-6
Product Number: AG003ME0(AGN-PC-0OC3YD)
Synonyms:
MDL No: MFCD00022387
Molecular Formula: C6H5N5
Molecular Weight: 147.1374

Identification/Properties


Properties
MP:
198-200 °C
BP:
520.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
147.141g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
147.054g/mol
Monoisotopic Mass:
147.054g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
230
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#:
2811
Hazard Statements:
H300+H310+H330-H412
Precautionary Statements:
P260-P264-P273-P280-P284-P302+P352
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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