3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
19 19 0 0 0 0 0 0 0999 V2000
1.9245 -0.1688 -0.2154 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2871 1.6289 -0.0215 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3600 -1.0082 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.0470 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7220 -0.7463 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1090 -2.4260 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 1.3354 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1306 0.5776 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8983 0.7605 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2353 -1.1205 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4542 -1.5418 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 -2.5920 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 -3.1269 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5917 -2.6792 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6640 2.2107 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 0.8352 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7045 1.0302 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9268 1.6697 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 0.3083 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 7 2 0 0 0 0
2 8 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
4 7 1 0 0 0 0
5 8 2 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N,4-dimethylpyridin-3-amine
4.2 InChI
InChI=1S/C7H10N2/c1-6-3-4-9-5-7(6)8-2/h3-5,8H,1-2H3
4.3 InChIKey
HJDXNIYRGXNPCP-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C(C=NC=C1)NC
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)