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Naphazoline
CAS: 835-31-4 | C14H14N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
835-31-4
Molecular Formula:
C14H14N2
Molecular Mass:
210.28 g/mol
Names and Synonyms:
Naphazoline
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-
Naphazoline
2-Imidazoline, 2-(1-naphthylmethyl)-
4,5-Dihydro-2-(1-naphthalenylmethyl)-1H-imidazole
Antan
Naphthizine
2-(1-Naphthylmethyl)-2-imidazoline
Rhinazine
Imidin
Naphthazoline
Colirio Alfa
Euboral Oftalmico
2-(1-Naphthalenylmethyl)-2-imidazoline
Antigaimorit
Nephazoline
2-(Naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
2-[(Naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole
Identifiers:
SMILES:
c1ccc2c(CC3=NCCN3)cccc2c1
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)
Key Properties
Boiling Point
120-140 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
119 °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 | 210.28 g/mol | CAS Common Chemistry |
| 210.28000000000003 g/mol | RDKit | |
| 210.115698448 g/mol | RDKit | |
| Boiling Point | 120-140 °C @ Press: 4 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 67.95670000000003 | RDKit |
