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(±)-Hydroxyzine
CAS: 68-88-2 | C21H27ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-88-2
Molecular Formula:
C21H27ClN2O2
Molecular Mass:
374.91 g/mol
Names and Synonyms:
(±)-Hydroxyzine
Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-(p-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-(4-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-
2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]ethanol
U.C.B 4492
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]diethylenediamine
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chlorodiphenylmethyl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chloro-α-phenylbenzyl)-4-[2-((2-hydroxyethoxy)ethyl)]piperazine
2-[2-[4-(p-Chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol
Hydroxyzine
Tran-Q
Hydroxizine
Hydroxyzin
(±)-Hydroxyzine
Hydroxyzyne
Tranquizine
NSC 169188
2-(2-[4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl]ethoxy)ethan-1-ol
Identifiers:
SMILES:
OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI:
InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
Key Properties
Boiling Point
250 °C @ Press: 0.1 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.91 g/mol | CAS Common Chemistry |
| 374.91200000000015 g/mol | RDKit | |
| 374.176105784 g/mol | RDKit | |
| Boiling Point | 250 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(C=2C=CC=CC2)N3CCN(CCOCCO)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-Hydroxyzine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.940000000000005 Ų | RDKit |
| LogP | 3.055900000000001 | RDKit |
| Molar Refractivity | 105.65480000000005 | RDKit |
