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Molecule
3-Aminopropyltrihydroxysilane
CAS: 58160-99-9 · C3H11NO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58160-99-9
- Molecular Formula
- C3H11NO3Si
- Molecular Mass
- 137.21 g/mol
Identifiers
CAS Registry Number
58160-99-9
SMILES
NCCC[Si](O)(O)O
InChI Key
JTXUAHIMULPXKY-UHFFFAOYSA-N
InChI
InChI=1S/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2
Names and Synonyms
- 3-Aminopropyltrihydroxysilane Systematic Name
- Silanetriol, 1-(3-aminopropyl)- Synonym
- Silanetriol, (3-aminopropyl)- Synonym
- 1-(3-Aminopropyl)silanetriol Synonym
- γ-Aminopropyltrihydroxysilane Synonym
- (γ-Aminopropyl)silanetriol Synonym
- 3-Aminopropyltrihydroxysilane Synonym
- 3-Aminopropylsilanetriol Synonym
- SIA 0608.0 Synonym
- KH 553 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.21 g/mol | CAS Common Chemistry |
| 137.21099999999998 g/mol | RDKit | |
| 137.211 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.060 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O[Si](O)(O)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JTXUAHIMULPXKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Aminopropyltrihydroxysilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.71000000000001 Ų | RDKit |
| 86.71 Ų | RDKit | |
| LogP | -1.7489999999999997 | RDKit |
| -1.749 | RDKit | |
| Molar Refractivity | 30.88879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.05081974200002 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 |
|---|
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.
External Resources
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MW = 137.21 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
