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Molecule
Triprolidine Hydrochloride
CAS: 550-70-9 · C19H23ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 550-70-9
- Molecular Formula
- C19H23ClN2
- Molecular Mass
- 314.86 g/mol
Identifiers
CAS Registry Number
550-70-9
SMILES
Cc1ccc(/C(=CCN2CCCC2)c2ccccn2)cc1.Cl
InChI Key
WYUYEJNGHIOFOC-NWBUNABESA-N
InChI
InChI=1S/C19H22N2.ClH/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;1H/b18-11+;
Names and Synonyms
- Triprolidine Hydrochloride Common Name
- Pyridine, 2-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-, hydrochloride (1:1) Synonym
- Pyridine, 2-[3-(1-pyrrolidinyl)-1-p-tolylpropenyl]-, monohydrochloride, (E)- Synonym
- Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, (E)- Synonym
- Pyridine, 2-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride Synonym
- Actidilat Synonym
- trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene hydrochloride Synonym
- Triprolidine hydrochloride Synonym
- trans-2-[3-(1-Pyrrolidinyl)-1-(p-tolyl)propenyl]pyridine hydrochloride Synonym
- Actidil Synonym
- 295C51 Synonym
- Pro-Actidil Synonym
- Entra Synonym
- Pro-Entra Synonym
- Venen Synonym
- Actidilon Synonym
- trans-Triprolidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.86 g/mol | CAS Common Chemistry |
| 314.85999999999996 g/mol | RDKit | |
| 314.857 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=1C=CC=CC1C(=CCN2CCCC2)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H22N2.ClH/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;1H/b18-11+; | CAS Common Chemistry |
| InChI Key | InChIKey=WYUYEJNGHIOFOC-NWBUNABESA-N | CAS Common Chemistry |
| Melting Point | 116-118 °C | CAS Common Chemistry |
| Name | Triprolidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 4.339320000000004 | RDKit |
| 4.3393 | RDKit | |
| 4.57 | chempirical lib | |
| Molar Refractivity | 95.41700000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 314.154976416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 314.86 g/mol. Edit any field — others recompute live.
