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N-[3-(Trimethoxysilyl)Propyl]Cyclohexanamine
CAS: 3068-78-8 | C12H27NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3068-78-8
Molecular Formula:
C12H27NO3Si
Molecular Mass:
261.44 g/mol
Names and Synonyms:
N-[3-(Trimethoxysilyl)Propyl]Cyclohexanamine
Cyclohexanamine, N-[3-(trimethoxysilyl)propyl]-
Cyclohexylamine, N-[3-(trimethoxysilyl)propyl]-
N-[3-(Trimethoxysilyl)propyl]cyclohexanamine
[3-(Cyclohexylamino)propyl]trimethoxysilane
SLM 50-892
PSX 5411
GF 92
MA 0701B
(N-Cyclohexyl-3-aminopropyl)trimethoxysilane
Geniosil GF 92
LMD 58
γ-N-Cyclohexylaminopropyltrimethoxysilane
N-[3-[Trimethoxysilyl]propyl]cyclohexylamine
γ-Cyclohexylaminopropyltrimethoxysilane
Identifiers:
SMILES:
CO[Si](CCCNC1CCCCC1)(OC)OC
InChI:
InChI=1S/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
Key Properties
Boiling Point
114 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.44 g/mol | CAS Common Chemistry |
| 261.43799999999993 g/mol | RDKit | |
| 261.17602025400004 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.99 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 114 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KGNDVXPHQJMHLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-(Trimethoxysilyl)propyl]cyclohexanamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 39.72 Ų | RDKit |
| LogP | 2.1769 | RDKit |
| Molar Refractivity | 71.08070000000005 | RDKit |
