Back to Search
Antazoline Hydrochloride
CAS: 2508-72-7 | C17H20ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2508-72-7
Molecular Formula:
C17H20ClN3
Molecular Mass:
301.82 g/mol
Names and Synonyms:
Antazoline Hydrochloride
1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, hydrochloride (1:1)
1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, monohydrochloride
2-Imidazoline, 2-[(N-benzylanilino)methyl]-, monohydrochloride
Antazoline hydrochloride
Antistine hydrochloride
2-(N-Benzylanilinomethyl)-2-imidazoline hydrochloride
Phenazoline hydrochloride
Antazoline chloride
Antistina
Antistin
Antastan
Histostab
Antihistal
Imidamine
Azalone
Antasten
Dibistin
5512M
Fenazolina
Histazine
Ben-a-hist
Identifiers:
SMILES:
Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChI:
InChI=1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
Key Properties
Melting Point
237-241 °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 | 301.82 g/mol | CAS Common Chemistry |
| 301.821 g/mol | RDKit | |
| 301.13457531999995 g/mol | RDKit | |
| Canonical SMILES | Cl.N1=C(NCC1)CN(C=2C=CC=CC2)CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H | CAS Common Chemistry |
| InChI Key | InChIKey=SWKDMSRRIBZZAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 237-241 °C | CAS Common Chemistry |
| Name | Antazoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.63 Ų | RDKit |
| LogP | 3.1167000000000007 | RDKit |
| Molar Refractivity | 91.48670000000003 | RDKit |
