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Molecule
(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
Identifiers
CAS Registry Number
13682-92-3
SMILES
NCC(=O)[O-].[Al+3].[OH-].[OH-]
InChI Key
BWZOPYPOZJBVLQ-UHFFFAOYSA-K
InChI
InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3
Names and Synonyms
- (T-4)-(Glycinato-Κn,Κo)Dihydroxyaluminum Systematic Name
- Aluminum, (glycinato-κN,κO)dihydroxy-, (T-4)- Synonym
- Aluminum, (glycinato)dihydroxy- Synonym
- Aluminum, (glycinato-N,O)dihydroxy-, (T-4)- Synonym
- Aluminum, dihydroxy(glycinato)- Synonym
- (T-4)-(Glycinato-κN,κO)dihydroxyaluminum Synonym
- Ada Synonym
- Aldimate Synonym
- Alglyn Synonym
- Alminate Synonym
- Alubasine Synonym
- Aluminum dihydroxyaminoacetate Synonym
- Alzinox Synonym
- Aspogen Synonym
- Dihydroxyaluminum glycinate Synonym
- Dimothyn Synonym
- Doraxamin Synonym
- Elcosal Synonym
- Robalate Synonym
- Dihydroxyaluminum aminoacetate Synonym
- Basic aluminum glycinate Synonym
- (Glycinato)dihydroxoaluminum Synonym
- Alamine Synonym
- Glycinal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.06 g/mol | CAS Common Chemistry |
| 135.055 g/mol | RDKit | |
| 141.103 g/mol | chempirical lib | |
| 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 |
| -3.0394 | RDKit | |
| Molar Refractivity | 23.686999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 135.01122130200002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 135.06 g/mol. Edit any field — others recompute live.
