3-amino-1H-indazole-5-carbonitrile


Chemical Name: 3-amino-1H-indazole-5-carbonitrile
CAS Number: 20925-62-6
Product Number: AG002K51(AGN-PC-0NJC3T)
Synonyms:
MDL No: MFCD11846330
Molecular Formula: C8H6N4
Molecular Weight: 158.1600

Identification/Properties


Properties
MP:
226℃ (Decomposition)
Storage:
2-8℃;Light sensitive;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
158.164g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
158.059g/mol
Monoisotopic Mass:
158.059g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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