Back to Search
Molecule
Cyclizine
CAS: 82-92-8 · C18H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 82-92-8
- Molecular Formula
- C18H22N2
- Molecular Mass
- 266.39 g/mol
Identifiers
CAS Registry Number
82-92-8
SMILES
CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChI Key
UVKZSORBKUEBAZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H22N2/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
Names and Synonyms
- Cyclizine Synonym
- Piperazine, 1-(diphenylmethyl)-4-methyl- Synonym
- 1-(Diphenylmethyl)-4-methylpiperazine Synonym
- (N-Benzhydryl)(N′-methyl)diethylenediamine Synonym
- Compound 47-83 Synonym
- Cyclizine Synonym
- Marezine Synonym
- Wellcome prepn. 47-83 Synonym
- N-Benzhydryl-N′-methylpiperazine Synonym
- N-Methyl-N′-benzhydrylpiperazine Synonym
- Nautazine Synonym
- Neo-Devomit Synonym
- Ne-Devomit Synonym
- NSC 26608 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.39 g/mol | CAS Common Chemistry |
| 266.38800000000003 g/mol | RDKit | |
| 266.388 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)N3CCN(C)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H22N2/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 | CAS Common Chemistry |
| InChI Key | InChIKey=UVKZSORBKUEBAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105.5-107.5 °C | CAS Common Chemistry |
| Name | Cyclizine | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 3.0234000000000014 | RDKit |
| 3.0234 | RDKit | |
| Molar Refractivity | 83.79700000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 266.178298704 g/mol | RDKit |
| Boiling Point | 150 °C @ 0.09 Torr | CAS Common Chemistry |
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 = 266.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H22N2.
