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N-[(Trimethoxysilyl)Methyl]Benzenamine
CAS: 77855-73-3 | C10H17NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77855-73-3
Molecular Formula:
C10H17NO3Si
Molecular Mass:
227.34 g/mol
Names and Synonyms:
N-[(Trimethoxysilyl)Methyl]Benzenamine
Benzenamine, N-[(trimethoxysilyl)methyl]-
N-[(Trimethoxysilyl)methyl]benzenamine
N-Phenylaminomethyltrimethoxysilane
ND 73
(Phenylaminomethyl)trimethoxysilane
Geniosil XL 973
(Anilinomethyl)(trimethoxy)silane
α-N-Phenylaminomethyltrimethoxysilane
Anilinemethyltrimethoxysilane
Identifiers:
SMILES:
CO[Si](CNc1ccccc1)(OC)OC
InChI:
InChI=1S/C10H17NO3Si/c1-12-15(13-2,14-3)9-11-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
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 | 227.34 g/mol | CAS Common Chemistry |
| 227.33599999999998 g/mol | RDKit | |
| 227.097769934 g/mol | RDKit | |
| Canonical SMILES | O(C)[Si](OC)(OC)CNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO3Si/c1-12-15(13-2,14-3)9-11-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VNBLTKHUCJLFSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[(Trimethoxysilyl)methyl]benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.72 Ų | RDKit |
| LogP | 1.5158 | RDKit |
| Molar Refractivity | 61.71270000000004 | RDKit |
