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Molecule
[3-[Bis-(2-Hydroxyethyl)Amino]Propyl]Triethoxysilane
CAS: 7538-44-5 · C13H31NO5Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7538-44-5
- Molecular Formula
- C13H31NO5Si
- Molecular Mass
- 309.48 g/mol
Identifiers
CAS Registry Number
7538-44-5
SMILES
CCO[Si](CCCN(CCO)CCO)(OCC)OCC
InChI Key
IYAYDWLKTPIEDC-UHFFFAOYSA-N
InChI
InChI=1S/C13H31NO5Si/c1-4-17-20(18-5-2,19-6-3)13-7-8-14(9-11-15)10-12-16/h15-16H,4-13H2,1-3H3
Names and Synonyms
- [3-[Bis-(2-Hydroxyethyl)Amino]Propyl]Triethoxysilane Common Name
- Ethanol, 2,2′-[[3-(triethoxysilyl)propyl]imino]bis- Synonym
- Ethanol, 2,2′-[[3-(triethoxysilyl)propyl]imino]di- Synonym
- 2,2′-[[3-(Triethoxysilyl)propyl]imino]bis[ethanol] Synonym
- 3-[N,N-Bis(2-hydroxyethyl)amino]propyltriethoxysilane Synonym
- [γ-[N,N-Bis(β-hydroxyethyl)amino]propyl]triethoxysilane Synonym
- N-Bis(β-hydroxyethyl) γ-aminopropyltriethoxysilane Synonym
- [3-[Bis-(2-hydroxyethyl)amino]propyl]triethoxysilane Synonym
- N,N-Bis(β-hydroxyethyl)-γ-(aminopropyl)triethoxysilane Synonym
- A 1111 Synonym
- Y 2967 Synonym
- N,N-Di-β-(hydroxyethyl)-γ-aminopropyltriethoxysilane Synonym
- A 111 Synonym
- N,N-Bis(2-hydroxyethyl)-3-aminopropyltriethoxysilane Synonym
- Bis(2-hydroxyethyl)-3-(aminopropyl)triethoxysilane Synonym
- SIB 1140.0 Synonym
- SIT 1140.0 Synonym
- JH-A111 Synonym
- SIB 1140 Synonym
- 2-[2-Hydroxyethyl(3-triethoxysilylpropyl)amino]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.48 g/mol | CAS Common Chemistry |
| 309.47900000000004 g/mol | RDKit | |
| 309.479 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.920 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OCCN(CCO)CCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H31NO5Si/c1-4-17-20(18-5-2,19-6-3)13-7-8-14(9-11-15)10-12-16/h15-16H,4-13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IYAYDWLKTPIEDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [3-[Bis-(2-hydroxyethyl)amino]propyl]triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.39000000000001 Ų | RDKit |
| 71.39 Ų | RDKit | |
| 71.16 Ų | chempirical lib | |
| LogP | 0.7115000000000002 | RDKit |
| 0.7115 | RDKit | |
| Molar Refractivity | 80.66760000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 309.19714962200004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 309.48 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
