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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 Mass:
144.17 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)
Key Properties
Melting Point
220 °C
CAS Common Chemistry
Density
1.36 g/cm³
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 | 144.17 g/mol | CAS Common Chemistry |
| 144.174 g/mol | RDKit | |
| 144.089877624 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.360 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Adipamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CCCCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=GVNWZKBFMFUVNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Hexanediamide | CAS Common Chemistry |
| Adipamide | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.16000000000001 Ų | RDKit |
| LogP | 1.61734 | RDKit |
| Molar Refractivity | 39.179 | RDKit |
