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Molecule
Tolazoline
CAS: 59-98-3 · C10H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59-98-3
- Molecular Formula
- C10H12N2
- Molecular Mass
- 160.22 g/mol
Identifiers
CAS Registry Number
59-98-3
SMILES
c1ccc(CC2=NCCN2)cc1
InChI Key
JIVZKJJQOZQXQB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
Names and Synonyms
- Tolazoline Synonym
- 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- Synonym
- 2-Imidazoline, 2-benzyl- Synonym
- Imidazoline, 2-benzyl- Synonym
- 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole Synonym
- Artonil Synonym
- Benzazoline Synonym
- Benzidazol Synonym
- 2-Benzyl-4,5-imidazoline Synonym
- 2-Benzyl-2-imidazoline Synonym
- Divascol Synonym
- Imidalin Synonym
- Kasimid Synonym
- Lambril Synonym
- Olitensol Synonym
- Peripherine Synonym
- Phenylmethylimidazoline Synonym
- Prefaxil Synonym
- Priscol Synonym
- Priscoline Synonym
- Tolazoline Synonym
- Vasimid Synonym
- Vasodil Synonym
- Benzylimidazoline Synonym
- 2-Benzylimidazoline Synonym
- Benzolin (vasodilator) Synonym
- Benzolin Synonym
- Dilatol ASI Synonym
- Tolazolin Synonym
- Imidaline Synonym
- 2-Benzyl-4,5-dihydro-1H-imidazole Synonym
- NSC 35110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.22 g/mol | CAS Common Chemistry |
| 160.22000000000003 g/mol | RDKit | |
| Canonical SMILES | N1=C(NCC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=JIVZKJJQOZQXQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174 °C | CAS Common Chemistry |
| Name | Tolazoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.2308 | RDKit |
| Molar Refractivity | 50.450700000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 160.100048384 g/mol | RDKit |
| Boiling Point | 147 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 160.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2.
