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Molecule
(P-Aminophenyl)Trimethoxysilane
CAS: 33976-43-1 · C9H15NO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33976-43-1
- Molecular Formula
- C9H15NO3Si
- Molecular Mass
- 213.31 g/mol
Identifiers
CAS Registry Number
33976-43-1
SMILES
CO[Si](OC)(OC)c1ccc(N)cc1
InChI Key
CNODSORTHKVDEM-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3
Names and Synonyms
- (P-Aminophenyl)Trimethoxysilane Synonym
- Benzenamine, 4-(trimethoxysilyl)- Synonym
- Aniline, p-(trimethoxysilyl)- Synonym
- 4-(Trimethoxysilyl)benzenamine Synonym
- (p-Aminophenyl)trimethoxysilane Synonym
- p-(Trimethoxysilyl)aniline Synonym
- γ-Anilinotrimethoxysilane Synonym
- (4-Aminophenyl)trimethoxysilane Synonym
- A 0724 Synonym
- 4-(Trimethoxysilyl)aniline Synonym
- SIA 0599.1D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 60-62 °C | CAS Common Chemistry |
| Molecular Mass | 213.31 g/mol | CAS Common Chemistry |
| 213.309 g/mol | RDKit | |
| Canonical SMILES | O(C)[Si](OC)(OC)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H15NO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CNODSORTHKVDEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (p-Aminophenyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.71 Ų | RDKit |
| LogP | 0.35389999999999955 | RDKit |
| 0.3539 | RDKit | |
| Molar Refractivity | 57.26940000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 213.08211986999999 g/mol | RDKit |
| Boiling Point | 110-114 °C @ 0.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
100
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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.
External Resources
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MW = 213.31 g/mol. Edit any field — others recompute live.
