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Tetrahydrozoline Hydrochloride
CAS: 522-48-5 | C13H17ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
522-48-5
Molecular Formula:
C13H17ClN2
Molecular Mass:
236.75 g/mol
Names and Synonyms:
Tetrahydrozoline Hydrochloride
1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, hydrochloride (1:1)
2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-, monohydrochloride
1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, monohydrochloride
2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline hydrochloride
Tyzanol hydrochloride
Tyzine hydrochloride
Visine hydrochloride
Tetrahydrozoline hydrochloride
Tyzine
Tetryzoline hydrochloride
Visine
Tizine
Yxin
Soothe
Tinarhinin
Murine Plus
Tyzanol
Vislin
2-(1,2,3,4-Tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride
Identifiers:
SMILES:
Cl.c1ccc2c(c1)CCCC2C1=NCCN1
InChI:
InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H
Key Properties
Melting Point
256-257 °C (decomp)
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 | 236.75 g/mol | CAS Common Chemistry |
| 236.74599999999998 g/mol | RDKit | |
| 236.10802622399999 g/mol | RDKit | |
| Canonical SMILES | Cl.N1=C(NCC1)C2C=3C=CC=CC3CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BJORNXNYWNIWEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 256-257 °C (decomp) | CAS Common Chemistry |
| Name | Tetrahydrozoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 2.5300000000000002 | RDKit |
| Molar Refractivity | 69.67370000000003 | RDKit |
