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Adipamide
CAS: 628-94-4 | C6H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-94-4
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.174 g/mol
Names and Synonyms:
Adipamide
Hexanediamide
Adipamide
1,4-Butanedicarboxamide
Adipic acid diamide
Adipic diamide
Adipic acid amide
NSC 7623
Identifiers:
SMILES:
N=C(O)CCCCC(=N)O
InChI:
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.17 g/mol | Legacy Database |
| density | 1.36 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Adipamide None | Legacy Database |
| cas-canonical-smile | O=C(N)CCCCC(=O)N None | Legacy Database |
| cas-density | 1.360 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10) None | Legacy Database |
| cas-inchi-key | InChIKey=GVNWZKBFMFUVNX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 220 °C None | Legacy Database |
| cas-name | Hexanediamide None | Legacy Database |
| wikipedia-name | Adipamide None | Legacy Database |
| LogP | 1.61734 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.174 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.089877624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 88.16000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.179 | RDKit |
