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Molecule
Adipamide
CAS: 628-94-4 · C6H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 628-94-4
- Molecular Formula
- C6H12N2O2
- Molecular Mass
- 144.17 g/mol
Identifiers
CAS Registry Number
628-94-4
SMILES
N=C(O)CCCCC(=N)O
InChI Key
GVNWZKBFMFUVNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
Names and Synonyms
- Adipamide Synonym
- Hexanediamide Synonym
- Adipamide Synonym
- 1,4-Butanedicarboxamide Synonym
- Adipic acid diamide Synonym
- Adipic diamide Synonym
- Adipic acid amide Synonym
- NSC 7623 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.174 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 |
| 88.16 Ų | RDKit | |
| LogP | 1.61734 | RDKit |
| 1.6173 | RDKit | |
| Molar Refractivity | 39.179 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 144.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 144.17 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2O2.
