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(3-Isocyanatopropyl)Triethoxysilane
CAS: 24801-88-5 | C10H21NO4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24801-88-5
Molecular Formula:
C10H21NO4Si
Molecular Weight:
247.36699999999993 g/mol
Names and Synonyms:
(3-Isocyanatopropyl)Triethoxysilane
Silane, triethoxy(3-isocyanatopropyl)-
Isocyanic acid, 3-(triethoxysilyl)propyl ester
Triethoxy(3-isocyanatopropyl)silane
(γ-Isocyanatopropyl)triethoxysilane
3-(Triethoxysilyl)propyl isocyanate
Y 9030
γ-(Triethoxysilyl)propyl isocyanate
I 7840
YH 9030
KBE 9007
1-(Triethoxysilyl)-3-isocyanatopropane
(3-Isocyanatopropyl)triethoxysilane
Triethoxy(γ-isocyanatopropyl)silane
Silquest A 1310
Silane A 1310
A 1310
KBM 9003
Dynasylan A 1310
UCTI 7840KG
Silquest A-Link 25
UCT 7840KG
NUC-A 1310
KBM 9007
A-Link 25
3-(Isocyanopropyl)triethoxysilane
LS 3415
Isocyanatopropyltriethoxysilane
Triethoxysilylpropyl isocyanate
3-Isocyanatopropyltriethoxysilane
SII 6455
IPTEOS
DB 907
B 0062
KH 907
CG 907
CG 907 (coupling agent)
SII 6455.0
KBE 9007A
KBE 9007N
USi-SL 25
T 13
Hongtu T 13
T 13 (silane)
IC 302
Identifiers:
SMILES:
CCO[Si](CCCN=C=O)(OCC)OCC
InChI:
InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 247.36699999999993 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 247.123984682 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.120000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7607 | RDKit |
| molecular_mass | 247.37 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| cas-boiling-point | 130 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | O=C=NCCC[Si](OCC)(OCC)OCC None | Legacy Database |
| cas-density | 0.990 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FRGPKMWIYVTFIQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (3-Isocyanatopropyl)triethoxysilane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 63.04450000000005 | RDKit |
