Back to Search
Molecule
Cyclizine Hydrochloride
CAS: 303-25-3 · C18H23ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 303-25-3
- Molecular Formula
- C18H23ClN2
- Molecular Mass
- 302.85 g/mol
Identifiers
CAS Registry Number
303-25-3
SMILES
CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
InChI Key
UKPBEPCQTDRZSE-UHFFFAOYSA-N
InChI
InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
Names and Synonyms
- Cyclizine Hydrochloride Synonym
- Piperazine, 1-(diphenylmethyl)-4-methyl-, hydrochloride (1:1) Synonym
- Piperazine, 1-(diphenylmethyl)-4-methyl-, monohydrochloride Synonym
- N-Benzhydryl-N′-methylpiperazine monohydrochloride Synonym
- Cyclizine hydrochloride Synonym
- Marezine hydrochloride Synonym
- Marzine Synonym
- 1-Benzhydryl-4-methylpiperazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.85 g/mol | CAS Common Chemistry |
| 302.849 g/mol | RDKit | |
| 302.846 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC(=CC1)C(C=2C=CC=CC2)N3CCN(C)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UKPBEPCQTDRZSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258-260 °C | CAS Common Chemistry |
| Name | Cyclizine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 3.445200000000003 | RDKit |
| 3.4452 | RDKit | |
| Molar Refractivity | 91.04500000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 302.154976416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
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.
External Resources
Convert
Quick conversion
MW = 302.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H23ClN2.
