3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
28 27 0 0 0 0 0 0 0999 V2000
0.8913 0.0039 -0.0536 Si 0 0 0 0 0 0 0 0 0 0 0 0
2.1112 0.0040 1.0985 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 1.3714 -1.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0632 -1.3584 -1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4479 0.0016 -0.2182 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 -0.0256 0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9977 -0.0284 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2998 -0.0040 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4678 0.0245 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 2.6581 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0085 -2.6472 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 -0.9088 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8317 0.8465 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 0.8440 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9758 -0.9186 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 -0.8839 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3357 0.8857 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4183 0.8324 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3050 0.0700 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6930 0.9330 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 -0.8637 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1005 0.0202 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1120 3.4054 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7143 2.7976 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0492 2.8291 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0182 -2.8445 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7808 -2.7682 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1925 -3.3893 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 6 1 0 0 0 0
2 9 1 0 0 0 0
3 10 1 0 0 0 0
4 11 1 0 0 0 0
5 8 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 7 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 8 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-trimethoxysilylpropan-1-amine
4.2 InChI
InChI=1S/C6H17NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3
4.3 InChIKey
SJECZPVISLOESU-UHFFFAOYSA-N
4.4 Canonical SMILES
CO[Si](CCCN)(OC)OC
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)