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Molecule
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
Identifiers
CAS Registry Number
638-32-4
SMILES
N=C(O)CCC(=O)O
InChI Key
JDVPQXZIJDEHAN-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
Names and Synonyms
- Succinamic Acid Common Name
- Butanoic acid, 4-amino-4-oxo- Synonym
- Succinamic acid Synonym
- 4-Amino-4-oxobutanoic acid Synonym
- Propionic acid, 3-carbamoyl- Synonym
- Succinic acid monoamide Synonym
- NSC 78416 Synonym
- 3-Carbamoylpropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.10 g/mol | CAS Common Chemistry |
| 117.10399999999998 g/mol | RDKit | |
| 117.104 g/mol | RDKit | |
| 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 |
| 0.3865 | RDKit | |
| Molar Refractivity | 27.225299999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 117.042593084 g/mol | RDKit |
| Boiling Point | 170 °C @ 2 Torr | CAS Common Chemistry |
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
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MW = 117.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO3.
