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Molecule
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
Identifiers
CAS Registry Number
77855-73-3
SMILES
CO[Si](CNc1ccccc1)(OC)OC
InChI Key
VNBLTKHUCJLFSB-UHFFFAOYSA-N
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
Names and Synonyms
- N-[(Trimethoxysilyl)Methyl]Benzenamine Common Name
- Benzenamine, N-[(trimethoxysilyl)methyl]- Synonym
- N-[(Trimethoxysilyl)methyl]benzenamine Synonym
- N-Phenylaminomethyltrimethoxysilane Synonym
- ND 73 Synonym
- (Phenylaminomethyl)trimethoxysilane Synonym
- Geniosil XL 973 Synonym
- (Anilinomethyl)(trimethoxy)silane Synonym
- α-N-Phenylaminomethyltrimethoxysilane Synonym
- Anilinemethyltrimethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.34 g/mol | CAS Common Chemistry |
| 227.33599999999998 g/mol | RDKit | |
| 227.336 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 227.097769934 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 227.34 g/mol. Edit any field — others recompute live.
