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Succinamide
CAS: 110-14-5 | C4H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-14-5
Molecular Formula:
C4H8N2O2
Molecular Weight:
116.11999999999999 g/mol
Names and Synonyms:
Succinamide
Butanediamide
Succinamide
Succindiamide
Succinic amide
Succinic acid diamide
T 152
NSC 8157
T 152 (emulsifier)
Identifiers:
SMILES:
N=C(O)CCC(=N)O
InChI:
InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.11999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.058577496 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 | 4 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 | 88.16000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.83714 | RDKit |
| molecular_mass | 116.12 g/mol | Legacy Database |
| density | 1.44 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(N)CCC(=O)N None | Legacy Database |
| cas-density | 1.442 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8) None | Legacy Database |
| cas-inchi-key | InChIKey=SNCZNSNPXMPCGN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 268 °C (decomp) None | Legacy Database |
| cas-name | Succinamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.944999999999997 | RDKit |
