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Molecule
Diammonium Succinate
CAS: 2226-88-2 · C4H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2226-88-2
- Molecular Formula
- C4H12N2O4
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
2226-88-2
SMILES
N.N.O=C(O)CCC(=O)O
InChI Key
NHJPVZLSLOHJDM-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3
Names and Synonyms
- Diammonium Succinate Common Name
- Butanedioic acid, ammonium salt (1:2) Synonym
- Succinic acid, diammonium salt Synonym
- Butanedioic acid, diammonium salt Synonym
- Ammonium succinate Synonym
- Succinic acid ammonium salt Synonym
- Diammonium succinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NHJPVZLSLOHJDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diammonium succinate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 144.6 Ų | RDKit |
| LogP | 0.2597999999999993 | RDKit |
| 0.2598 | RDKit | |
| Molar Refractivity | 34.549800000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 152.079706864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 152.15 g/mol. Edit any field — others recompute live.
