3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
26 28 0 0 0 0 0 0 0999 V2000
0.5993 1.3771 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5994 -1.3771 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1954 1.4254 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1956 -1.4251 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 0.6993 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 -0.6994 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7581 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7581 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 1.3792 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 -1.3793 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9888 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9887 -0.6935 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9744 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9744 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 0.6934 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7732 2.4684 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7730 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9870 2.4674 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9870 -2.4673 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1245 1.2416 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1245 -1.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0894 0.9564 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1670 2.4366 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1676 -2.4364 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0895 -0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
2 6 2 0 0 0 0
2 8 1 0 0 0 0
3 11 1 0 0 0 0
3 23 1 0 0 0 0
3 24 1 0 0 0 0
4 12 1 0 0 0 0
4 25 1 0 0 0 0
4 26 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 13 2 0 0 0 0
8 14 2 0 0 0 0
9 11 2 0 0 0 0
9 17 1 0 0 0 0
10 12 2 0 0 0 0
10 18 1 0 0 0 0
11 12 1 0 0 0 0
13 15 1 0 0 0 0
13 19 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
15 16 2 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
phenazine-2,3-diamine
4.2 InChI
InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2
4.3 InChIKey
VZPGINJWPPHRLS-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N
4.5 Isomeric SMILES
-
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)