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Molecule
Oxymetazoline Hydrochloride
CAS: 2315-02-8 · C16H25ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2315-02-8
- Molecular Formula
- C16H25ClN2O
- Molecular Mass
- 296.84 g/mol
Identifiers
CAS Registry Number
2315-02-8
SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl
InChI Key
BEEDODBODQVSIM-UHFFFAOYSA-N
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
Names and Synonyms
- Oxymetazoline Hydrochloride Common Name
- Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, hydrochloride (1:1) Synonym
- Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, monohydrochloride Synonym
- Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, monohydrochloride Synonym
- Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, hydrochloride Synonym
- H 990 Synonym
- Afrin Synonym
- Afrin hydrochloride Synonym
- 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazolinium chloride Synonym
- 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol hydrochloride Synonym
- 2,6-Dimethyl-4-tertiarybutyl-3-hydroxyphenyl)methylimidazoline hydrochloride Synonym
- Nasivin Synonym
- Oxymetazoline chloride Synonym
- Oxymetazoline hydrochloride Synonym
- Duration 12 Hour Nasal Spray Synonym
- 4-Way Nasal Spray Synonym
- Nostrilla Synonym
- Neo-Synephrine 12 Hour NTZ Synonym
- Dristan Long-Lasting Nasal Mist Synonym
- Allerest 12 Hour Nasal Spray Synonym
- Ocuclear Synonym
- Neo-Synephrine 12 Hour Synonym
- Iliadin Synonym
- Nafrine Synonym
- Sch 9384 Synonym
- Afrazine Synonym
- Oxilin Synonym
- Duration Synonym
- 4-Way Nasal 12 Hour Spray Synonym
- Respir Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.84 g/mol | CAS Common Chemistry |
| 296.8419999999999 g/mol | RDKit | |
| 296.842 g/mol | RDKit | |
| 296.839 g/mol | chempirical lib | |
| 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 |
| 44.62 Ų | RDKit | |
| LogP | 3.2725400000000024 | RDKit |
| 3.2725 | RDKit | |
| Molar Refractivity | 87.53750000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5625 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 296.16554110000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 296.84 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H25ClN2O.
