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Aluminum, (Glycinato-N,O)Dihydroxy-, Hydrate, (T-4)-
CAS: 41354-48-7 | C2H8AlNO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41354-48-7
Molecular Formula:
C2H8AlNO5
Molecular Weight:
153.07000000000002 g/mol
Names and Synonyms:
Aluminum, (Glycinato-N,O)Dihydroxy-, Hydrate, (T-4)-
Dihydroxyaluminum aminoacetate hydrate
Aluminum, dihydroxy(glycinato)-, hydrate
Aluminum, (glycinato-N,O)dihydroxy-, hydrate, (T-4)-
Identifiers:
SMILES:
NCC(=O)[O-].O.[Al+3].[OH-].[OH-]
InChI:
InChI=1S/C2H5NO2.Al.3H2O/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;3*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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.07000000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.02178598600003 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 157.65 Ų | RDKit |
| Physical Properties | LogP | -3.8640999999999996 | RDKit |
| molecular_mass | 153.07 g/mol | Legacy Database | |
| cas-canonical-smile | O=C1[O-][Al+3]([OH-])([OH-])[NH2]C1.O | Legacy Database | |
| cas-inchi | InChI=1S/C2H5NO2.Al.3H2O/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;3*1H2/q;+3;;;/p-3 | Legacy Database | |
| cas-inchi-key | InChIKey=UTUUIUQHGDRVPU-UHFFFAOYSA-K | Legacy Database | |
| cas-name | Aluminum, (glycinato-N,O)dihydroxy-, hydrate, (T-4)- | Legacy Database | |
| Molar | Molar Refractivity | 27.300800000000002 | RDKit |
