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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
Names and Synonyms:
N,N-Dimethylsuccinamic Acid
Butanoic acid, 4-(dimethylamino)-4-oxo-
Succinamic acid, N,N-dimethyl-
4-(Dimethylamino)-4-oxobutanoic acid
N,N-Dimethylsuccinic acid monoamide
N,N-Dimethylsuccinamic acid
NSC 46778
Identifiers:
SMILES:
CN(C)C(=O)CCC(=O)O
InChI:
InChI=1S/C6H11NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
Key Properties
Melting Point
165-167 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.158 g/mol | RDKit | |
| 145.073893212 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 |
| LogP | -0.06060000000000004 | RDKit |
| Molar Refractivity | 35.56379999999999 | RDKit |
