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Diammonium Succinate
CAS: 2226-88-2 | C4H12N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2226-88-2
Molecular Formula:
C4H12N2O4
Molecular Weight:
152.15 g/mol
Names and Synonyms:
Diammonium Succinate
Diammonium succinate
Succinic acid ammonium salt
Ammonium succinate
Butanedioic acid, diammonium salt
Succinic acid, diammonium salt
Butanedioic acid, ammonium salt (1:2)
Identifiers:
SMILES:
N.N.O=C(O)CCC(=O)O
InChI:
InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3
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 |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CCC(=O)O.N | Legacy Database | |
| cas-inchi | InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=NHJPVZLSLOHJDM-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Diammonium succinate | Legacy Database | |
| LogP | 0.2597999999999993 | RDKit | |
| Molecular | Molecular Weight | 152.15 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.079706864 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 144.6 Ų | RDKit |
| Molar | Molar Refractivity | 34.549800000000005 | RDKit |
