Back to Search
Succinamic Acid
CAS: 638-32-4 | C4H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
638-32-4
Molecular Formula:
C4H7NO3
Molecular Weight:
117.10399999999998 g/mol
Names and Synonyms:
Succinamic Acid
3-Carbamoylpropanoic acid
NSC 78416
Succinic acid monoamide
Propionic acid, 3-carbamoyl-
4-Amino-4-oxobutanoic acid
Succinamic acid
Butanoic acid, 4-amino-4-oxo-
Identifiers:
SMILES:
N=C(O)CCC(=O)O
InChI:
InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 117.10 g/mol | Legacy Database |
| cas-boiling-point | 170 °C @ Press: 2 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)CCC(=O)N None | Legacy Database |
| cas-inchi | InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=JDVPQXZIJDEHAN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 207-208 °C None | Legacy Database |
| cas-name | Succinamic acid None | Legacy Database |
| LogP | 0.38647 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.10399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.042593084 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 81.38 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.225299999999994 | RDKit |
