2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene


Chemical Name: 2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CAS Number: 271-80-7
Product Number: AG00BDSC(AGN-PC-0JL7U9)
Synonyms:
MDL No:
Molecular Formula: C5H4N4
Molecular Weight: 120.1121

Identification/Properties


Computed Properties
Molecular Weight:
120.115g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
120.044g/mol
Monoisotopic Mass:
120.044g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
105
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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