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Diafen
CAS: 132-18-3 | C19H24ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
132-18-3
Molecular Formula:
C19H24ClNO
Molecular Mass:
317.86 g/mol
Names and Synonyms:
Diafen
Piperidine, 4-(diphenylmethoxy)-1-methyl-, hydrochloride (1:1)
Piperidine, 4-(diphenylmethoxy)-1-methyl-, hydrochloride
Diafen hydrochloride
4-Diphenylmethoxy-1-methylpiperidine hydrochloride
Diphenylpyraline hydrochloride
Hispril hydrochloride
1-Methyl-4-piperidyl benzhydryl ether hydrochloride
Sumadil
Diphenpyraline hydrochloride
Diafen (antihistamine)
Diafen
Diaphen
Lergoban
Dayfen
Belfene
Histryl
Kolton Jelly
Anginosan
Histryl Spansule Capsules
Lergobine
Hispril
Histyn
Diphenylpyraline teoclate
Identifiers:
SMILES:
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
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
Key Properties
Melting Point
206 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 317.86 g/mol | CAS Common Chemistry |
| 317.86000000000007 g/mol | RDKit | |
| 317.154642068 g/mol | RDKit | |
| 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 |
| LogP | 4.308600000000005 | RDKit |
| Molar Refractivity | 93.57900000000006 | RDKit |
