Back to Search
Molecule
(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
Identifiers
CAS Registry Number
3473-76-5
SMILES
CCO[Si](CNc1ccccc1)(OCC)OCC
InChI Key
KOVKEDGZABFDPF-UHFFFAOYSA-N
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
Names and Synonyms
- (Anilinomethyl)Triethoxysilane Synonym
- Benzenamine, N-[(triethoxysilyl)methyl]- Synonym
- Aniline, N-[(triethoxysilyl)methyl]- Synonym
- N-[(Triethoxysilyl)methyl]benzenamine Synonym
- (Anilinomethyl)triethoxysilane Synonym
- [(Phenylamino)methyl]triethoxysilane Synonym
- ND 42 Synonym
- KH 42 Synonym
- KH 42 (coupling agent) Synonym
- Sj 42 Synonym
- KH-ND 42 Synonym
- SiSiB PC 1711 Synonym
- Aniline methyltriethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.42 g/mol | CAS Common Chemistry |
| 269.417 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.004 g/cm3 @ 25 °C | 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 |
| 2.6861 | RDKit | |
| Molar Refractivity | 75.56370000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 269.14472012600004 g/mol | RDKit |
| Boiling Point | 135-137 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 269.42 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
