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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 Mass:
117.10 g/mol
Names and Synonyms:
Succinamic Acid
Butanoic acid, 4-amino-4-oxo-
Succinamic acid
4-Amino-4-oxobutanoic acid
Propionic acid, 3-carbamoyl-
Succinic acid monoamide
NSC 78416
3-Carbamoylpropanoic acid
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)
Key Properties
Boiling Point
170 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
207-208 °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 | 117.10 g/mol | CAS Common Chemistry |
| 117.10399999999998 g/mol | RDKit | |
| 117.042593084 g/mol | RDKit | |
| Boiling Point | 170 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=JDVPQXZIJDEHAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 207-208 °C | CAS Common Chemistry |
| Name | Succinamic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.38 Ų | RDKit |
| LogP | 0.38647 | RDKit |
| Molar Refractivity | 27.225299999999994 | RDKit |
