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Naphazoline Nitrate
CAS: 5144-52-5 | C14H15N3O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
5144-52-5
Molecular Formula:
C14H15N3O3
Molecular Mass:
273.29 g/mol
Names and Synonyms:
Naphazoline Nitrate
Privin
Privina
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, nitrate (1:1)
2-Imidazoline, 2-(1-naphthylmethyl)-, mononitrate
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, mononitrate
Naphtyzin
Naphazoline nitrate
Naphthylmethyl-2-imidazoline nitrate
Naphthisin
Naftizin
Rinazin
Naphthizin
Privine nitrate
Privine
Privine (British)
Sanorin
2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole nitrate
Identifiers:
SMILES:
O=[N+]([O-])O.c1ccc2c(CC3=NCCN3)cccc2c1
InChI:
InChI=1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
Key Properties
Melting Point
167-168 °C @ Solvent: Isopropanol
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 | 273.29 g/mol | CAS Common Chemistry |
| 273.292 g/mol | RDKit | |
| 273.11134134 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)O.N1=C(NCC1)CC2=CC=CC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZAHXYMFVNNUHCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-168 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | Naphazoline nitrate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 87.76 Ų | RDKit |
| LogP | 2.0362999999999998 | RDKit |
| Molar Refractivity | 76.73760000000003 | RDKit |
