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Hexanamide
CAS: 628-02-4 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-02-4
Molecular Formula:
C6H13NO
Molecular Mass:
115.18 g/mol
Names and Synonyms:
Hexanamide
Hexanamide
Caproamide
n-Hexanamide
Hexamide
Capronamide
n-Caproamide
Hexylamide
Caproic amide
Capromide
NSC 8437
Identifiers:
SMILES:
CCCCCC(=N)O
InChI:
InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
Key Properties
Boiling Point
255 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
101 °C
CAS Common Chemistry
Density
1.00 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 | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.099714036 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.999 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 255 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=ALBYIUDWACNRRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101 °C | CAS Common Chemistry |
| Name | Hexanamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 2.10197 | RDKit |
| Molar Refractivity | 34.49749999999998 | RDKit |
