3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
25 27 0 0 0 0 0 0 0999 V2000
0.0000 1.5499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0002 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2147 -0.5270 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2147 -0.5271 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.2202 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1672 0.8772 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1671 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4500 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.1980 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3732 1.5731 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3731 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6415 -0.4789 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -0.4788 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6026 0.9095 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5408 -2.2789 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5408 -2.2789 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3692 2.6616 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 2.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5946 -0.9988 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5947 -0.9988 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5266 1.4803 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5265 1.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8578 -3.1718 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 -3.1718 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
2 5 1 0 0 0 0
2 24 1 0 0 0 0
2 25 1 0 0 0 0
3 5 2 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 9 2 0 0 0 0
6 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
8 16 1 0 0 0 0
9 13 1 0 0 0 0
9 17 1 0 0 0 0
10 14 2 0 0 0 0
10 18 1 0 0 0 0
11 15 1 0 0 0 0
11 19 1 0 0 0 0
12 14 1 0 0 0 0
12 20 1 0 0 0 0
13 15 2 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
acridin-9-amine
4.2 InChI
InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)
4.3 InChIKey
XJGFWWJLMVZSIG-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)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)