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(T-4)-(Glycinato-Κn,Κo)Dihydroxyaluminum
CAS: 13682-92-3 | C2H6AlNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13682-92-3
Molecular Formula:
C2H6AlNO4
Molecular Weight:
135.055 g/mol
Names and Synonyms:
(T-4)-(Glycinato-Κn,Κo)Dihydroxyaluminum
Alamine
Glycinal
(Glycinato)dihydroxoaluminum
Basic aluminum glycinate
Dihydroxyaluminum aminoacetate
Robalate
Elcosal
Doraxamin
Dimothyn
Dihydroxyaluminum glycinate
Aspogen
Alzinox
Aluminum dihydroxyaminoacetate
Alubasine
Alminate
Alglyn
Aldimate
Ada
(T-4)-(Glycinato-κN,κO)dihydroxyaluminum
Aluminum, dihydroxy(glycinato)-
Aluminum, (glycinato-N,O)dihydroxy-, (T-4)-
Aluminum, (glycinato)dihydroxy-
Aluminum, (glycinato-κN,κO)dihydroxy-, (T-4)-
Identifiers:
SMILES:
NCC(=O)[O-].[Al+3].[OH-].[OH-]
InChI:
InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3
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 | 135.06 g/mol | Legacy Database |
| cas-canonical-smile | O=C1[O-][Al+3]([OH-])([OH-])[NH2]C1 None | Legacy Database |
| cas-inchi | InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=BWZOPYPOZJBVLQ-UHFFFAOYSA-K None | Legacy Database |
| cas-name | (T-4)-(Glycinato-κN,κO)dihydroxyaluminum None | Legacy Database |
| LogP | -3.0393999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.055 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.01122130200002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 126.15 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.686999999999998 | RDKit |
