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Oxymetazoline Hydrochloride
CAS: 2315-02-8 | C16H25ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2315-02-8
Molecular Formula:
C16H25ClN2O
Molecular Mass:
296.84 g/mol
Names and Synonyms:
Oxymetazoline Hydrochloride
Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, hydrochloride (1:1)
Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, monohydrochloride
Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, monohydrochloride
Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, hydrochloride
H 990
Afrin
Afrin hydrochloride
2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazolinium chloride
6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol hydrochloride
2,6-Dimethyl-4-tertiarybutyl-3-hydroxyphenyl)methylimidazoline hydrochloride
Nasivin
Oxymetazoline chloride
Oxymetazoline hydrochloride
Duration 12 Hour Nasal Spray
4-Way Nasal Spray
Nostrilla
Neo-Synephrine 12 Hour NTZ
Dristan Long-Lasting Nasal Mist
Allerest 12 Hour Nasal Spray
Ocuclear
Neo-Synephrine 12 Hour
Iliadin
Nafrine
Sch 9384
Afrazine
Oxilin
Duration
4-Way Nasal 12 Hour Spray
Respir
Identifiers:
SMILES:
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl
InChI:
InChI=1S/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H
Key Properties
Melting Point
300-303 °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 | 296.84 g/mol | CAS Common Chemistry |
| 296.8419999999999 g/mol | RDKit | |
| 296.16554110000004 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1=C(C(=C(C=C1C(C)(C)C)C)CC2=NCCN2)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BEEDODBODQVSIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300-303 °C (decomp) | CAS Common Chemistry |
| Name | Oxymetazoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| LogP | 3.2725400000000024 | RDKit |
| Molar Refractivity | 87.53750000000004 | RDKit |
