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Molecule
Diafen
CAS: 132-18-3 · C19H24ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132-18-3
- Molecular Formula
- C19H24ClNO
- Molecular Mass
- 317.86 g/mol
Identifiers
CAS Registry Number
132-18-3
SMILES
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
InChI Key
LPRLDRXGWKXRMQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H
Names and Synonyms
- Diafen Common Name
- Piperidine, 4-(diphenylmethoxy)-1-methyl-, hydrochloride (1:1) Synonym
- Piperidine, 4-(diphenylmethoxy)-1-methyl-, hydrochloride Synonym
- Diafen hydrochloride Synonym
- 4-Diphenylmethoxy-1-methylpiperidine hydrochloride Synonym
- Diphenylpyraline hydrochloride Synonym
- Hispril hydrochloride Synonym
- 1-Methyl-4-piperidyl benzhydryl ether hydrochloride Synonym
- Sumadil Synonym
- Diphenpyraline hydrochloride Synonym
- Diafen (antihistamine) Synonym
- Diafen Synonym
- Diaphen Synonym
- Lergoban Synonym
- Dayfen Synonym
- Belfene Synonym
- Histryl Synonym
- Kolton Jelly Synonym
- Anginosan Synonym
- Histryl Spansule Capsules Synonym
- Lergobine Synonym
- Hispril Synonym
- Histyn Synonym
- Diphenylpyraline teoclate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.86 g/mol | CAS Common Chemistry |
| 317.86000000000007 g/mol | RDKit | |
| 317.857 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O(C(C=1C=CC=CC1)C=2C=CC=CC2)C3CCN(C)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=LPRLDRXGWKXRMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C | CAS Common Chemistry |
| Name | Diafen | 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 | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | 4.308600000000005 | RDKit |
| 4.3086 | RDKit | |
| Molar Refractivity | 93.57900000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3684 | RDKit |
| 0.37 | chempirical lib | |
| Exact Mass | 317.154642068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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 = 317.86 g/mol. Edit any field — others recompute live.
