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Nonivamide
CAS: 2444-46-4 | C17H27NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2444-46-4
Molecular Formula:
C17H27NO3
Molecular Mass:
293.41 g/mol
Names and Synonyms:
Nonivamide
Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
Nonanamide, N-vanillyl-
N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide
Nonanoic acid vanillylamide
Pelargonic acid vanillylamide
N-Vanillylnonanamide
N-Vanillylpelargonamide
Vanillyl n-nonylamide
Vanillyl pelargonic amide
N-Vanillylnonamide
Nonylic acid vanillylamide
Nonylic vanillylamide
Nonivamide
AH 23491X
Pseudocapsaicin
N-(4-Hydroxy-3-methoxybenzyl)nonamide
Nonanoylvanillyl amide
8-Nordihydrocapsaicin
NSC 172795
Identifiers:
SMILES:
CCCCCCCCC(O)=NCc1ccc(O)c(OC)c1
InChI:
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
Key Properties
Boiling Point
200-210 °C @ Press: 0.05 Torr
CAS Common Chemistry
Melting Point
57-59 °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 | 293.41 g/mol | CAS Common Chemistry |
| 293.40700000000004 g/mol | RDKit | |
| 293.199093724 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nonivamide | CAS Common Chemistry |
| Boiling Point | 200-210 °C @ Press: 0.05 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(NCC1=CC=C(O)C(OC)=C1)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=RGOVYLWUIBMPGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-59 °C | CAS Common Chemistry |
| Name | Nonivamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 62.05000000000001 Ų | RDKit |
| LogP | 4.607900000000004 | RDKit |
| Molar Refractivity | 86.41960000000006 | RDKit |
