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Molecule
N-[(Dimethoxymethylsilyl)Methyl]Benzenamine
CAS: 17890-10-7 · C10H17NO2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17890-10-7
- Molecular Formula
- C10H17NO2Si
- Molecular Mass
- 211.34 g/mol
Identifiers
CAS Registry Number
17890-10-7
SMILES
CO[Si](C)(CNc1ccccc1)OC
InChI Key
BNQFLOSSLHYGLQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO2Si/c1-12-14(3,13-2)9-11-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
Names and Synonyms
- N-[(Dimethoxymethylsilyl)Methyl]Benzenamine Synonym
- Benzenamine, N-[(dimethoxymethylsilyl)methyl]- Synonym
- Aniline, N-[(dimethoxymethylsilyl)methyl]- Synonym
- N-[(Dimethoxymethylsilyl)methyl]benzenamine Synonym
- N-Phenylaminomethyldimethoxymethylsilane Synonym
- Geniosil XL 972 Synonym
- XL 972 Synonym
- (Anilinomethyl)(dimethoxy)(methyl)silane Synonym
- (N-Phenylaminomethyl)methyldimethoxysilane Synonym
- (Methyl)(phenylaminomethyl)dimethoxysilane Synonym
- α-N-Phenylaminomethyldimethoxymethylsilane Synonym
- Anilinomethylmethyldimethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.34 g/mol | CAS Common Chemistry |
| 211.33700000000002 g/mol | RDKit | |
| 211.337 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.04 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 255 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(C)CNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO2Si/c1-12-14(3,13-2)9-11-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BNQFLOSSLHYGLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[(Dimethoxymethylsilyl)methyl]benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | 2.0024999999999995 | RDKit |
| 2.0025 | RDKit | |
| 2.14 | chempirical lib | |
| Molar Refractivity | 60.56770000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 211.102855314 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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20
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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 = 211.34 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
