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Aluminum Tri-Sec-Butoxide
CAS: 2269-22-9 | C4H10AlO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2269-22-9
Molecular Formula:
C4H10AlO
Molecular Mass:
101.11 g/mol
Names and Synonyms:
Aluminum Tri-Sec-Butoxide
2-Butanol, aluminum salt (3:1)
sec-Butyl alcohol, aluminum salt
2-Butanol, aluminum salt
Aluminum sec-butoxide
Tri-sec-butoxyaluminum
Aluminum tris(sec-butoxide)
Aluminum tri-sec-butoxide
Aluminum 2-butoxide
Aluminum sec-butylate
Aluminum tri(sec-butylate)
Tris(2-butoxy)aluminum
Tris(sec-butoxy)aluminum
Tris(2-butanolato)aluminum
ASBD
ASB (salt)
ASB
Aluminum sec-butanolate
Aluminum tri-s-butoxide
Aluminium tri-sec-butoxide
A 1001 (catalyst)
AL 3001
Orgatix AL 3001
Identifiers:
SMILES:
CCC(C)O.[Al]
InChI:
InChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3;
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.11 g/mol | CAS Common Chemistry |
| 101.10499999999999 g/mol | RDKit | |
| 101.05470357 g/mol | RDKit | |
| Canonical SMILES | [Al].OC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=UTMJYTVLBRHOTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum tri-sec-butoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.3963999999999999 | RDKit |
| Molar Refractivity | 27.725799999999985 | RDKit |
