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Molecule
Triprolidine
CAS: 486-12-4 · C19H22N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 486-12-4
- Molecular Formula
- C19H22N2
- Molecular Mass
- 278.40 g/mol
Identifiers
CAS Registry Number
486-12-4
SMILES
Cc1ccc(/C(=CCN2CCCC2)c2ccccn2)cc1
InChI Key
CBEQULMOCCWAQT-WOJGMQOQSA-N
InChI
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
Names and Synonyms
- Triprolidine Synonym
- Pyridine, 2-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]- Synonym
- Pyridine, 2-[3-(1-pyrrolidinyl)-1-p-tolylpropenyl]-, (E)- Synonym
- Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, (E)- Synonym
- Pyridine, 2-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]- Synonym
- 2-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]pyridine Synonym
- Tripyrolidine Synonym
- Triprolidine Synonym
- trans-2-[3-(1-Pyrrolidinyl)-1-p-tolypropenyl]pyridine Synonym
- trans-1-(2-Pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene Synonym
- trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene Synonym
- Triprolidin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.40 g/mol | CAS Common Chemistry |
| 278.399 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=CC1C(=CCN2CCCC2)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | CAS Common Chemistry |
| InChI Key | InChIKey=CBEQULMOCCWAQT-WOJGMQOQSA-N | CAS Common Chemistry |
| Melting Point | 59-61 °C | CAS Common Chemistry |
| Name | Triprolidine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 16.130000000000003 Ų | RDKit |
| 16.13 Ų | RDKit | |
| 15.37 Ų | chempirical lib | |
| LogP | 3.917520000000003 | RDKit |
| 3.9175 | RDKit | |
| 3.76 | chempirical lib | |
| Molar Refractivity | 88.16900000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 278.178298704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 278.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H22N2.
