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Hexadecanamide
CAS: 629-54-9 | C16H33NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-54-9
Molecular Formula:
C16H33NO
Molecular Mass:
255.45 g/mol
Names and Synonyms:
Hexadecanamide
Hexadecanamide
Palmitamide
Amide 16
Amide HPL
Cetyl amide
Palmitic acid amide
Palmitic amide
n-Hexadecanamide
Amide P
Diamid KP
Palmitoyl amide
NSC 3327
Diamid BP
T 21
T 21 (amide)
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=N)O
InChI:
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
Key Properties
Melting Point
107 °C
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 | 255.45 g/mol | CAS Common Chemistry |
| 255.44599999999994 g/mol | RDKit | |
| 255.256214676 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=HSEMFIZWXHQJAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | Hexadecanamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 6.002970000000006 | RDKit |
| Molar Refractivity | 80.66750000000006 | RDKit |
