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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 Mass:
135.06 g/mol
Names and Synonyms:
(T-4)-(Glycinato-Κn,Κo)Dihydroxyaluminum
Aluminum, (glycinato-κN,κO)dihydroxy-, (T-4)-
Aluminum, (glycinato)dihydroxy-
Aluminum, (glycinato-N,O)dihydroxy-, (T-4)-
Aluminum, dihydroxy(glycinato)-
(T-4)-(Glycinato-κN,κO)dihydroxyaluminum
Ada
Aldimate
Alglyn
Alminate
Alubasine
Aluminum dihydroxyaminoacetate
Alzinox
Aspogen
Dihydroxyaluminum glycinate
Dimothyn
Doraxamin
Elcosal
Robalate
Dihydroxyaluminum aminoacetate
Basic aluminum glycinate
(Glycinato)dihydroxoaluminum
Alamine
Glycinal
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.06 g/mol | CAS Common Chemistry |
| 135.055 g/mol | RDKit | |
| 135.01122130200002 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Al+3]([OH-])([OH-])[NH2]C1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=BWZOPYPOZJBVLQ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | (T-4)-(Glycinato-κN,κO)dihydroxyaluminum | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 126.15 Ų | RDKit |
| LogP | -3.0393999999999997 | RDKit |
| Molar Refractivity | 23.686999999999998 | RDKit |
