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Molecule
Naphazoline Nitrate
CAS: 5144-52-5 · C14H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5144-52-5
- Molecular Formula
- C14H15N3O3
- Molecular Mass
- 273.29 g/mol
Identifiers
CAS Registry Number
5144-52-5
SMILES
O=[N+]([O-])O.c1ccc2c(CC3=NCCN3)cccc2c1
InChI Key
ZAHXYMFVNNUHCP-UHFFFAOYSA-N
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)
Names and Synonyms
- Naphazoline Nitrate Common Name
- Privin Synonym
- Privina Synonym
- 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, nitrate (1:1) Synonym
- 2-Imidazoline, 2-(1-naphthylmethyl)-, mononitrate Synonym
- 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, mononitrate Synonym
- Naphtyzin Synonym
- Naphazoline nitrate Synonym
- Naphthylmethyl-2-imidazoline nitrate Synonym
- Naphthisin Synonym
- Naftizin Synonym
- Rinazin Synonym
- Naphthizin Synonym
- Privine nitrate Synonym
- Privine Synonym
- Privine (British) Synonym
- Sanorin Synonym
- 2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.29 g/mol | CAS Common Chemistry |
| 273.292 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 |
| 82.92 Ų | chempirical lib | |
| LogP | 2.0362999999999998 | RDKit |
| 2.0363 | RDKit | |
| Molar Refractivity | 76.73760000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 273.11134134 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
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MW = 273.29 g/mol. Edit any field — others recompute live.
