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Molecule
Naphazoline
CAS: 835-31-4 · C14H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 835-31-4
- Molecular Formula
- C14H14N2
- Molecular Mass
- 210.28 g/mol
Identifiers
CAS Registry Number
835-31-4
SMILES
c1ccc2c(CC3=NCCN3)cccc2c1
InChI Key
CNIIGCLFLJGOGP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2/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)
Names and Synonyms
- Naphazoline Synonym
- 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)- Synonym
- Naphazoline Synonym
- 2-Imidazoline, 2-(1-naphthylmethyl)- Synonym
- 4,5-Dihydro-2-(1-naphthalenylmethyl)-1H-imidazole Synonym
- Antan Synonym
- Naphthizine Synonym
- 2-(1-Naphthylmethyl)-2-imidazoline Synonym
- Rhinazine Synonym
- Imidin Synonym
- Naphthazoline Synonym
- Colirio Alfa Synonym
- Euboral Oftalmico Synonym
- 2-(1-Naphthalenylmethyl)-2-imidazoline Synonym
- Antigaimorit Synonym
- Nephazoline Synonym
- 2-(Naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole Synonym
- 2-[(Naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.28000000000003 g/mol | RDKit | |
| Canonical SMILES | N1=C(NCC1)CC2=CC=CC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2/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) | CAS Common Chemistry |
| InChI Key | InChIKey=CNIIGCLFLJGOGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Naphazoline | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 2.3840000000000003 | RDKit |
| 2.384 | RDKit | |
| 2.17 | chempirical lib | |
| Molar Refractivity | 67.95670000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 210.115698448 g/mol | RDKit |
| Boiling Point | 120-140 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 210.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14N2.
