Molecule structure of Pyrazine-2,3-dicarboxylic acid imide (CAS NO.4933-19-1):
IUPAC Name: Pyrrolo[3,4-b]pyrazine-5,7-dione
Molecular Weight: 149.10692 g/mol
Molecular Formula: C6H3N3O2
Density: 1.586 g/cm3
Index of Refraction: 1.633
Molar Refractivity: 33.6 cm3
Molar Volume: 94 cm3
Polarizability: 13.32×10-24 cm3
Surface Tension: 81.1 dyne/cm
XLogP3-AA: -0.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Tautomer Count: 2
Exact Mass: 149.022526
MonoIsotopic Mass: 149.022526
Topological Polar Surface Area: 72
Heavy Atom Count: 11
Complexity: 194
Canonical SMILES: C1=CN=C2C(=N1)C(=O)NC2=O
InChI: InChI=1S/C6H3N3O2/c10-5-3-4(6(11)9-5)8-2-1-7-3/h1-2H,(H,9,10,11)
InChIKey of Pyrazine-2,3-dicarboxylic acid imide (CAS NO.4933-19-1): UGAIORBQCJKREN-UHFFFAOYSA-N
An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
Pyrazine-2,3-dicarboxylic acid imide (CAS NO.4933-19-1) is also named as 3,6-Diazaphthalimid ; 3,6-Diazaphthalimid [German] ; 4-26-00-00577 (Beilstein Handbook Reference) ; BRN 0005638 ; 2,3-Pyrazinedicarboximide (8CI) ; 5H-Pyrrolo(3,4-b)pyrazine, 5,7(6H)-dioxo- .
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