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N-Ethyl-P-Menthane-3-Carboxamide
CAS: 39711-79-0 | C13H25NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39711-79-0
Molecular Formula:
C13H25NO
Molecular Mass:
211.35 g/mol
Names and Synonyms:
N-Ethyl-P-Menthane-3-Carboxamide
Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
N-Ethyl-p-menthane-3-carboxamide
WS 3 (amide)
WS 3
Ethyl menthane carboxamide
Cooling Sensate WS 3
FEMA 3455
N-Ethyl-p-menthanecarboxamide
Identifiers:
SMILES:
CCN=C(O)C1CC(C)CCC1C(C)C
InChI:
InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
Key Properties
Melting Point
88 °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 | 211.35 g/mol | CAS Common Chemistry |
| 211.34899999999996 g/mol | RDKit | |
| 211.19361442 g/mol | RDKit | |
| Canonical SMILES | O=C(NCC)C1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=VUNOFAIHSALQQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | N-Ethyl-p-menthane-3-carboxamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.6712000000000025 | RDKit |
| Molar Refractivity | 65.43780000000005 | RDKit |
