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Molecule
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 Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
110-14-5
SMILES
N=C(O)CCC(=N)O
InChI Key
SNCZNSNPXMPCGN-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
Names and Synonyms
- Succinamide Synonym
- Butanediamide Synonym
- Succinamide Synonym
- Succindiamide Synonym
- Succinic amide Synonym
- Succinic acid diamide Synonym
- T 152 Synonym
- NSC 8157 Synonym
- T 152 (emulsifier) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.442 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(N)CCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SNCZNSNPXMPCGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 268 °C (decomp) | CAS Common Chemistry |
| Name | Succinamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.16000000000001 Ų | RDKit |
| 88.16 Ų | RDKit | |
| LogP | 0.83714 | RDKit |
| 0.8371 | RDKit | |
| Molar Refractivity | 29.944999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 116.12 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O2.
