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Molecule
Diammonium Tartrate
CAS: 3164-29-2 · C4H12N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3164-29-2
- Molecular Formula
- C4H12N2O6
- Molecular Mass
- 184.15 g/mol
Identifiers
CAS Registry Number
3164-29-2
SMILES
N.N.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
NGPGDYLVALNKEG-OLXYHTOASA-N
InChI
InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3/t1-,2-;;/m1../s1
Names and Synonyms
- Diammonium Tartrate Common Name
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, ammonium salt (1:2) Synonym
- Tartaric acid, diammonium salt Synonym
- Ammonium tartrate ((NH4)2O6C4H4) Synonym
- Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, diammonium salt Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diammonium salt Synonym
- Diammonium tartrate Synonym
- Ammonium d-tartrate Synonym
- L-Tartaric acid ammonium salt Synonym
- Diammonium L-(+)-tartrate Synonym
- Diammonium d-tartrate Synonym
- Ammonium tartrate Synonym
- (2R,3R)-2,3-Dihydroxysuccinic acid diammonia salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.15 g/mol | CAS Common Chemistry |
| 184.14799999999997 g/mol | RDKit | |
| 184.148 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.601 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3/t1-,2-;;/m1../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NGPGDYLVALNKEG-OLXYHTOASA-N | CAS Common Chemistry |
| Name | Diammonium tartrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 185.05999999999997 Ų | RDKit |
| 185.06 Ų | RDKit | |
| LogP | -1.7986000000000004 | RDKit |
| -1.7986 | RDKit | |
| Molar Refractivity | 37.32940000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 184.069536104 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 184.15 g/mol; density = 1.600 g/mL. Edit any field — others recompute live.
