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(3-Isocyanatopropyl)Dimethoxymethylsilane
CAS: 26115-72-0 | C7H15NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26115-72-0
Molecular Formula:
C7H15NO3Si
Molecular Mass:
189.29 g/mol
Names and Synonyms:
(3-Isocyanatopropyl)Dimethoxymethylsilane
Silane, (3-isocyanatopropyl)dimethoxymethyl-
Isocyanic acid, 3-(dimethoxymethylsilyl)propyl ester
(3-Isocyanatopropyl)dimethoxymethylsilane
(Methyldimethoxysilyl)propyl isocyanate
KBM 9207
(γ-Isocyanatopropyl)methyldimethoxysilane
(3-Isocyanatopropyl)methyldimethoxysilane
(γ-Isocyanatopropyl)dimethoxymethylsilane
3-(Isocyanatopropyl)dimethoxymethylsilane
Hongtu T 02
T 02
Identifiers:
SMILES:
CO[Si](C)(CCCN=C=O)OC
InChI:
InChI=1S/C7H15NO3Si/c1-10-12(3,11-2)6-4-5-8-7-9/h4-6H2,1-3H3
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 | 189.29 g/mol | CAS Common Chemistry |
| 189.28699999999998 g/mol | RDKit | |
| 189.08211987 g/mol | RDKit | |
| Canonical SMILES | O=C=NCCC[Si](OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO3Si/c1-10-12(3,11-2)6-4-5-8-7-9/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNTRMVRTACZZIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Isocyanatopropyl)dimethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.89 Ų | RDKit |
| LogP | 1.0770999999999997 | RDKit |
| Molar Refractivity | 48.04850000000003 | RDKit |
