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Naphazoline Hydrochloride
CAS: 550-99-2 | C14H15ClN2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
550-99-2
Molecular Formula:
C14H15ClN2
Molecular Mass:
246.74 g/mol
Names and Synonyms:
Naphazoline Hydrochloride
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, hydrochloride (1:1)
2-Imidazoline, 2-(1-naphthylmethyl)-, monohydrochloride
Naphazoline hydrochloride
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, monohydrochloride
2-(1-Naphthylmethyl)-2-imidazoline hydrochloride
Niazol
Privine hydrochloride
Prizole hydrochloride
Rhinantin
Rhinoperd
Stricylon
Naphazoline chloride
Privine (American)
Naphthasolium chloride
2-(α-Naphthylmethyl)-2-imidazoline hydrochloride
2-(1-Naphthylmethyl)imidazoline hydrochloride
Ocumethyl
Vasocon
Coldan
Rhinatin
Strictylon
Degest 2
Opcon
Iridina Due
Sanorin-Spofa
Naphcon
Vasoclear
Albalon
Ak-Con
Allerest Eye Drops
Comfort Eye Drops
Clera
Neozoline
Naprisol
Identifiers:
SMILES:
Cl.c1ccc2c(CC3=NCCN3)cccc2c1
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
Key Properties
Melting Point
255-260 °C
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 | 246.74 g/mol | CAS Common Chemistry |
| 246.741 g/mol | RDKit | |
| 246.09237616 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 75.20470000000003 | RDKit |
