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Molecule
Tolazoline Hydrochloride
CAS: 59-97-2 · C10H13ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59-97-2
- Molecular Formula
- C10H13ClN2
- Molecular Mass
- 196.68 g/mol
Identifiers
CAS Registry Number
59-97-2
SMILES
Cl.c1ccc(CC2=NCCN2)cc1
InChI Key
RHTNTTODYGNRSP-UHFFFAOYSA-N
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
Names and Synonyms
- Tolazoline Hydrochloride Synonym
- 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, hydrochloride (1:1) Synonym
- 2-Imidazoline, 2-benzyl-, monohydrochloride Synonym
- 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, monohydrochloride Synonym
- Arterodyl Synonym
- Benzazoline hydrochloride Synonym
- Imidaline hydrochloride Synonym
- Priscoline hydrochloride Synonym
- Tolavad Synonym
- Tolazoline chloride Synonym
- Tolazoline hydrochloride Synonym
- Tolpal Synonym
- 2-Benzyl-4,5-dihydroimidazole hydrochloride Synonym
- 2-Benzyl-2-imidazoline hydrochloride Synonym
- 2-Benzylimidazoline hydrochloride Synonym
- Totazoline Synonym
- Lambral Synonym
- Vaso-Dilatan Synonym
- 2-Benzyl-4,5-dihydro-1H-imidazole hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.68 g/mol | CAS Common Chemistry |
| 196.681 g/mol | RDKit | |
| 196.678 g/mol | chempirical lib | |
| 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 |
| 1.6526 | RDKit | |
| Molar Refractivity | 57.698700000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 196.076726096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 196.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13ClN2.
