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Molecule
N1,N2-Bis[3-(Trimethoxysilyl)Propyl]-1,2-Ethanediamine
CAS: 68845-16-9 · C14H36N2O6Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68845-16-9
- Molecular Formula
- C14H36N2O6Si2
- Molecular Mass
- 384.62 g/mol
Identifiers
CAS Registry Number
68845-16-9
SMILES
CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChI Key
HZGIOLNCNORPKR-UHFFFAOYSA-N
InChI
InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3
Names and Synonyms
- N1,N2-Bis[3-(Trimethoxysilyl)Propyl]-1,2-Ethanediamine Systematic Name
- 1,2-Ethanediamine, N1,N2-bis[3-(trimethoxysilyl)propyl]- Synonym
- 1,2-Ethanediamine, N,N′-bis[3-(trimethoxysilyl)propyl]- Synonym
- N1,N2-Bis[3-(trimethoxysilyl)propyl]-1,2-ethanediamine Synonym
- XS 951 Synonym
- B 2493 Synonym
- B 2492 Synonym
- Bis(trimethoxysilylpropyl)ethylenediamine Synonym
- Bis[3-(trimethoxysilyl)propyl]ethylenediamine Synonym
- X 12-5283 Synonym
- N,N′-Bis[3-(trimethoxysilyl)propyl]ethylenediamine Synonym
- X 12-5263HP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.62 g/mol | CAS Common Chemistry |
| 384.6220000000001 g/mol | RDKit | |
| 384.622 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.05 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCNCCNCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HZGIOLNCNORPKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1,N2-Bis[3-(trimethoxysilyl)propyl]-1,2-ethanediamine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.44000000000001 Ų | RDKit |
| 79.44 Ų | RDKit | |
| LogP | 0.7020000000000015 | RDKit |
| 0.702 | RDKit | |
| Molar Refractivity | 98.14940000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 384.2111899319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 384.62 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
