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Molecule
(3-Isocyanatopropyl)Triethoxysilane
CAS: 24801-88-5 · C10H21NO4Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24801-88-5
- Molecular Formula
- C10H21NO4Si
- Molecular Mass
- 247.37 g/mol
Identifiers
CAS Registry Number
24801-88-5
SMILES
CCO[Si](CCCN=C=O)(OCC)OCC
InChI Key
FRGPKMWIYVTFIQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
Names and Synonyms
- (3-Isocyanatopropyl)Triethoxysilane Synonym
- Silane, triethoxy(3-isocyanatopropyl)- Synonym
- Isocyanic acid, 3-(triethoxysilyl)propyl ester Synonym
- Triethoxy(3-isocyanatopropyl)silane Synonym
- (γ-Isocyanatopropyl)triethoxysilane Synonym
- 3-(Triethoxysilyl)propyl isocyanate Synonym
- Y 9030 Synonym
- γ-(Triethoxysilyl)propyl isocyanate Synonym
- I 7840 Synonym
- YH 9030 Synonym
- KBE 9007 Synonym
- 1-(Triethoxysilyl)-3-isocyanatopropane Synonym
- (3-Isocyanatopropyl)triethoxysilane Synonym
- Triethoxy(γ-isocyanatopropyl)silane Synonym
- Silquest A 1310 Synonym
- Silane A 1310 Synonym
- A 1310 Synonym
- KBM 9003 Synonym
- Dynasylan A 1310 Synonym
- UCTI 7840KG Synonym
- Silquest A-Link 25 Synonym
- UCT 7840KG Synonym
- NUC-A 1310 Synonym
- KBM 9007 Synonym
- A-Link 25 Synonym
- 3-(Isocyanopropyl)triethoxysilane Synonym
- LS 3415 Synonym
- Isocyanatopropyltriethoxysilane Synonym
- Triethoxysilylpropyl isocyanate Synonym
- 3-Isocyanatopropyltriethoxysilane Synonym
- SII 6455 Synonym
- IPTEOS Synonym
- DB 907 Synonym
- B 0062 Synonym
- KH 907 Synonym
- CG 907 Synonym
- CG 907 (coupling agent) Synonym
- SII 6455.0 Synonym
- KBE 9007A Synonym
- KBE 9007N Synonym
- USi-SL 25 Synonym
- T 13 Synonym
- Hongtu T 13 Synonym
- T 13 (silane) Synonym
- IC 302 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.37 g/mol | CAS Common Chemistry |
| 247.36699999999993 g/mol | RDKit | |
| 247.367 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.990 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C=NCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FRGPKMWIYVTFIQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Isocyanatopropyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.120000000000005 Ų | RDKit |
| 57.12 Ų | RDKit | |
| LogP | 1.7607 | RDKit |
| Molar Refractivity | 63.04450000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 247.123984682 g/mol | RDKit |
| Boiling Point | 130 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| 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.
External Resources
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MW = 247.37 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
