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Tolazoline Hydrochloride
CAS: 59-97-2 | C10H13ClN2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
59-97-2
Molecular Formula:
C10H13ClN2
Molecular Mass:
196.68 g/mol
Names and Synonyms:
Tolazoline Hydrochloride
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, hydrochloride (1:1)
2-Imidazoline, 2-benzyl-, monohydrochloride
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, monohydrochloride
Arterodyl
Benzazoline hydrochloride
Imidaline hydrochloride
Priscoline hydrochloride
Tolavad
Tolazoline chloride
Tolazoline hydrochloride
Tolpal
2-Benzyl-4,5-dihydroimidazole hydrochloride
2-Benzyl-2-imidazoline hydrochloride
2-Benzylimidazoline hydrochloride
Totazoline
Lambral
Vaso-Dilatan
2-Benzyl-4,5-dihydro-1H-imidazole hydrochloride
Identifiers:
SMILES:
Cl.c1ccc(CC2=NCCN2)cc1
InChI:
InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
Key Properties
Melting Point
174 °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 | 196.68 g/mol | CAS Common Chemistry |
| 196.681 g/mol | RDKit | |
| 196.076726096 g/mol | RDKit | |
| Canonical SMILES | Cl.N1=C(NCC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H | CAS Common Chemistry |
| InChI Key | InChIKey=RHTNTTODYGNRSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174 °C | CAS Common Chemistry |
| Name | Tolazoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 1.6525999999999996 | RDKit |
| Molar Refractivity | 57.698700000000024 | RDKit |
