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Tridemorph
CAS: 24602-86-6 | C19H39NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24602-86-6
Molecular Formula:
C19H39NO
Molecular Mass:
297.53 g/mol
Names and Synonyms:
Tridemorph
Morpholine, 2,6-dimethyl-4-tridecyl-
2,6-Dimethyl-4-tridecylmorpholine
N-Tridecyl-2,6-dimethylmorpholine
NSC 232676
Identifiers:
SMILES:
CCCCCCCCCCCCCN1CC(C)OC(C)C1
InChI:
InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
Key Properties
Boiling Point
140 °C
CAS Common Chemistry
Melting Point
<25 °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 | 297.53 g/mol | CAS Common Chemistry |
| 297.527 g/mol | RDKit | |
| 297.303164868 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tridemorph | CAS Common Chemistry |
| Boiling Point | 140 °C | CAS Common Chemistry |
| Canonical SMILES | O1C(C)CN(CCCCCCCCCCCCC)CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YTOPFCCWCSOHFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 2,6-Dimethyl-4-tridecylmorpholine | CAS Common Chemistry |
| Tridemorph | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 5.406600000000005 | RDKit |
| Molar Refractivity | 92.91000000000008 | RDKit |
