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Molecule
Aluminum, (Glycinato-N,O)Dihydroxy-, Hydrate, (T-4)-
CAS: 41354-48-7 · C2H8AlNO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41354-48-7
- Molecular Formula
- C2H8AlNO5
- Molecular Mass
- 153.07 g/mol
Identifiers
CAS Registry Number
41354-48-7
SMILES
NCC(=O)[O-].O.[Al+3].[OH-].[OH-]
InChI Key
UTUUIUQHGDRVPU-UHFFFAOYSA-K
InChI
InChI=1S/C2H5NO2.Al.3H2O/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;3*1H2/q;+3;;;/p-3
Names and Synonyms
- Aluminum, (Glycinato-N,O)Dihydroxy-, Hydrate, (T-4)- Systematic Name
- Aluminum, (glycinato-N,O)dihydroxy-, hydrate, (T-4)- Synonym
- Aluminum, dihydroxy(glycinato)-, hydrate Synonym
- Dihydroxyaluminum aminoacetate hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.07 g/mol | CAS Common Chemistry |
| 153.07000000000002 g/mol | RDKit | |
| 159.118 g/mol | chempirical lib | |
| Canonical SMILES | O=C1[O-][Al+3]([OH-])([OH-])[NH2]C1.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2.Al.3H2O/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;3*1H2/q;+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=UTUUIUQHGDRVPU-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Aluminum, (glycinato-N,O)dihydroxy-, hydrate, (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 157.65 Ų | RDKit |
| LogP | -3.8640999999999996 | RDKit |
| -3.8641 | RDKit | |
| Molar Refractivity | 27.300800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 153.02178598600003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 153.07 g/mol. Edit any field — others recompute live.
