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(3-Isocyanatopropyl)Trimethoxysilane
CAS: 15396-00-6 | C7H15NO4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15396-00-6
Molecular Formula:
C7H15NO4Si
Molecular Mass:
205.29 g/mol
Names and Synonyms:
(3-Isocyanatopropyl)Trimethoxysilane
KH 901
Vestanat EP-IPMS
3-Isocyanate propyltrimethoxysilane
3-Isocyantopropyltrimethoxysilane
KBE 900
KBM 9007A
KBM 9007N
SCA-Y 25M
IC 301
Silane, (3-isocyanatopropyl)trimethoxy-
Isocyanic acid, 3-(trimethoxysilyl)propyl ester
(3-Isocyanatopropyl)trimethoxysilane
3-(Trimethoxysilyl)propyl isocyanate
(γ-Isocyanatopropyl)trimethoxysilane
KBK 9007
Silquest Y 5187
Y 5187
1-Isocyanato-3-trimethoxysilylpropane
Silquest A-Link 35
3-Isocyanopropyltrimethoxysilane
Geniosil GF 40
A-Link 35
γ-Isocyanopropyltrimethoxysilane
SII 6456.0
Unisilan 18
Trimethoxy(3-isocyanatopropyl)silane
GF 40
Identifiers:
SMILES:
CO[Si](CCCN=C=O)(OC)OC
InChI:
InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3
Key Properties
Boiling Point
95-98 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.07 g/cm³
CAS Common Chemistry
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 | 205.29 g/mol | CAS Common Chemistry |
| 205.286 g/mol | RDKit | |
| 205.07703449 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.073 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 95-98 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C=NCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FMGBDYLOANULLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Isocyanatopropyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.120000000000005 Ų | RDKit |
| LogP | 0.5903999999999998 | RDKit |
| Molar Refractivity | 49.19350000000003 | RDKit |
