Back to Search
Molecule
N,N-Dimethylsuccinamic Acid
CAS: 2564-95-6 · C6H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2564-95-6
- Molecular Formula
- C6H11NO3
- Molecular Mass
- 145.16 g/mol
Identifiers
CAS Registry Number
2564-95-6
SMILES
CN(C)C(=O)CCC(=O)O
InChI Key
WAIGPJMZARQZDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
Names and Synonyms
- N,N-Dimethylsuccinamic Acid Synonym
- Butanoic acid, 4-(dimethylamino)-4-oxo- Synonym
- Succinamic acid, N,N-dimethyl- Synonym
- 4-(Dimethylamino)-4-oxobutanoic acid Synonym
- N,N-Dimethylsuccinic acid monoamide Synonym
- N,N-Dimethylsuccinamic acid Synonym
- NSC 46778 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.158 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=WAIGPJMZARQZDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165-167 °C | CAS Common Chemistry |
| Name | N,N-Dimethylsuccinamic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| 57.38 Ų | chempirical lib | |
| LogP | -0.06060000000000004 | RDKit |
| -0.0606 | RDKit | |
| Molar Refractivity | 35.56379999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 145.073893212 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.
External Resources
Convert
Quick conversion
MW = 145.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO3.
