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Molecule
Trifenmorph
CAS: 1420-06-0 · C23H23NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1420-06-0
- Molecular Formula
- C23H23NO
- Molecular Mass
- 329.44 g/mol
Identifiers
CAS Registry Number
1420-06-0
SMILES
c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1
InChI Key
ZJMLMBICUVVJDX-UHFFFAOYSA-N
InChI
InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2
Names and Synonyms
- Trifenmorph Common Name
- Morpholine, 4-(triphenylmethyl)- Synonym
- Morpholine, 4-trityl- Synonym
- 4-(Triphenylmethyl)morpholine Synonym
- N-Tritylmorpholine Synonym
- Shell WL 8008 Synonym
- WL 8008 Synonym
- Frescon Synonym
- Trifenmorph Synonym
- Triphenmorphe Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 329.44 g/mol | CAS Common Chemistry |
| 329.44300000000015 g/mol | RDKit | |
| 329.443 g/mol | RDKit | |
| Canonical SMILES | O1CCN(CC1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZJMLMBICUVVJDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-176 °C | CAS Common Chemistry |
| Name | Trifenmorph | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | 4.310700000000004 | RDKit |
| 4.3107 | RDKit | |
| 4.37 | chempirical lib | |
| Molar Refractivity | 101.60000000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2174 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 329.177964356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 329.44 g/mol. Edit any field — others recompute live.
