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3-Aminopropyltrihydroxysilane
CAS: 58160-99-9 | C3H11NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58160-99-9
Molecular Formula:
C3H11NO3Si
Molecular Weight:
137.21099999999998 g/mol
Names and Synonyms:
3-Aminopropyltrihydroxysilane
KH 553
SIA 0608.0
3-Aminopropylsilanetriol
3-Aminopropyltrihydroxysilane
(γ-Aminopropyl)silanetriol
γ-Aminopropyltrihydroxysilane
1-(3-Aminopropyl)silanetriol
Silanetriol, (3-aminopropyl)-
Silanetriol, 1-(3-aminopropyl)-
Identifiers:
SMILES:
NCCC[Si](O)(O)O
InChI:
InChI=1S/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 137.21 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| cas-canonical-smile | O[Si](O)(O)CCCN None | Legacy Database |
| cas-density | 1.060 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JTXUAHIMULPXKY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Aminopropyltrihydroxysilane None | Legacy Database |
| LogP | -1.7489999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.21099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.05081974200002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 86.71000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.88879999999999 | RDKit |
