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(Anilinomethyl)Triethoxysilane
CAS: 3473-76-5 | C13H23NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3473-76-5
Molecular Formula:
C13H23NO3Si
Molecular Mass:
269.42 g/mol
Names and Synonyms:
(Anilinomethyl)Triethoxysilane
Benzenamine, N-[(triethoxysilyl)methyl]-
Aniline, N-[(triethoxysilyl)methyl]-
N-[(Triethoxysilyl)methyl]benzenamine
(Anilinomethyl)triethoxysilane
[(Phenylamino)methyl]triethoxysilane
ND 42
KH 42
KH 42 (coupling agent)
Sj 42
KH-ND 42
SiSiB PC 1711
Aniline methyltriethoxysilane
Identifiers:
SMILES:
CCO[Si](CNc1ccccc1)(OCC)OCC
InChI:
InChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
Key Properties
Boiling Point
135-137 °C @ Press: 4 Torr
CAS Common Chemistry
Density
1.00 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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 |
|---|
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 | 269.42 g/mol | CAS Common Chemistry |
| 269.417 g/mol | RDKit | |
| 269.14472012600004 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.004 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 135-137 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KOVKEDGZABFDPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Anilinomethyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.72 Ų | RDKit |
| LogP | 2.6861000000000006 | RDKit |
| Molar Refractivity | 75.56370000000005 | RDKit |
