Back to Search
Molecule
Naphazoline Hydrochloride
CAS: 550-99-2 · C14H15ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 550-99-2
- Molecular Formula
- C14H15ClN2
- Molecular Mass
- 246.74 g/mol
Identifiers
CAS Registry Number
550-99-2
SMILES
Cl.c1ccc2c(CC3=NCCN3)cccc2c1
InChI Key
DJDFFEBSKJCGHC-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
Names and Synonyms
- Naphazoline Hydrochloride Common Name
- 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, hydrochloride (1:1) Synonym
- 2-Imidazoline, 2-(1-naphthylmethyl)-, monohydrochloride Synonym
- Naphazoline hydrochloride Synonym
- 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, monohydrochloride Synonym
- 2-(1-Naphthylmethyl)-2-imidazoline hydrochloride Synonym
- Niazol Synonym
- Privine hydrochloride Synonym
- Prizole hydrochloride Synonym
- Rhinantin Synonym
- Rhinoperd Synonym
- Stricylon Synonym
- Naphazoline chloride Synonym
- Privine (American) Synonym
- Naphthasolium chloride Synonym
- 2-(α-Naphthylmethyl)-2-imidazoline hydrochloride Synonym
- 2-(1-Naphthylmethyl)imidazoline hydrochloride Synonym
- Ocumethyl Synonym
- Vasocon Synonym
- Coldan Synonym
- Rhinatin Synonym
- Strictylon Synonym
- Degest 2 Synonym
- Opcon Synonym
- Iridina Due Synonym
- Sanorin-Spofa Synonym
- Naphcon Synonym
- Vasoclear Synonym
- Albalon Synonym
- Ak-Con Synonym
- Allerest Eye Drops Synonym
- Comfort Eye Drops Synonym
- Clera Synonym
- Neozoline Synonym
- Naprisol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.74 g/mol | CAS Common Chemistry |
| 246.741 g/mol | RDKit | |
| 246.738 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=C(NCC1)CC2=CC=CC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H | CAS Common Chemistry |
| InChI Key | InChIKey=DJDFFEBSKJCGHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255-260 °C | CAS Common Chemistry |
| Name | Naphazoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 2.8058000000000005 | RDKit |
| 2.8058 | RDKit | |
| 2.98 | chempirical lib | |
| Molar Refractivity | 75.20470000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 246.09237616 g/mol | RDKit |
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 = 246.74 g/mol. Edit any field — others recompute live.
