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Molecule
(3-Isocyanatopropyl)Trimethoxysilane
CAS: 15396-00-6 · C7H15NO4Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15396-00-6
- Molecular Formula
- C7H15NO4Si
- Molecular Mass
- 205.29 g/mol
Identifiers
CAS Registry Number
15396-00-6
SMILES
CO[Si](CCCN=C=O)(OC)OC
InChI Key
FMGBDYLOANULLW-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3
Names and Synonyms
- (3-Isocyanatopropyl)Trimethoxysilane Common Name
- KH 901 Synonym
- Vestanat EP-IPMS Synonym
- 3-Isocyanate propyltrimethoxysilane Synonym
- 3-Isocyantopropyltrimethoxysilane Synonym
- KBE 900 Synonym
- KBM 9007A Synonym
- KBM 9007N Synonym
- SCA-Y 25M Synonym
- IC 301 Synonym
- Silane, (3-isocyanatopropyl)trimethoxy- Synonym
- Isocyanic acid, 3-(trimethoxysilyl)propyl ester Synonym
- (3-Isocyanatopropyl)trimethoxysilane Synonym
- 3-(Trimethoxysilyl)propyl isocyanate Synonym
- (γ-Isocyanatopropyl)trimethoxysilane Synonym
- KBK 9007 Synonym
- Silquest Y 5187 Synonym
- Y 5187 Synonym
- 1-Isocyanato-3-trimethoxysilylpropane Synonym
- Silquest A-Link 35 Synonym
- 3-Isocyanopropyltrimethoxysilane Synonym
- Geniosil GF 40 Synonym
- A-Link 35 Synonym
- γ-Isocyanopropyltrimethoxysilane Synonym
- SII 6456.0 Synonym
- Unisilan 18 Synonym
- Trimethoxy(3-isocyanatopropyl)silane Synonym
- GF 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.29 g/mol | CAS Common Chemistry |
| 205.286 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.073 g/cm3 | 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 |
| 57.12 Ų | RDKit | |
| LogP | 0.5903999999999998 | RDKit |
| 0.5904 | RDKit | |
| Molar Refractivity | 49.19350000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 205.07703449 g/mol | RDKit |
| Boiling Point | 95-98 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 205.29 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
