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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
Names and Synonyms:
Tolazoline
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-
2-Imidazoline, 2-benzyl-
Imidazoline, 2-benzyl-
4,5-Dihydro-2-(phenylmethyl)-1H-imidazole
Artonil
Benzazoline
Benzidazol
2-Benzyl-4,5-imidazoline
2-Benzyl-2-imidazoline
Divascol
Imidalin
Kasimid
Lambril
Olitensol
Peripherine
Phenylmethylimidazoline
Prefaxil
Priscol
Priscoline
Tolazoline
Vasimid
Vasodil
Benzylimidazoline
2-Benzylimidazoline
Benzolin (vasodilator)
Benzolin
Dilatol ASI
Tolazolin
Imidaline
2-Benzyl-4,5-dihydro-1H-imidazole
NSC 35110
Identifiers:
SMILES:
c1ccc(CC2=NCCN2)cc1
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)
Key Properties
Boiling Point
147 °C @ Press: 9 Torr
CAS Common Chemistry
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 | 160.22 g/mol | CAS Common Chemistry |
| 160.22000000000003 g/mol | RDKit | |
| 160.100048384 g/mol | RDKit | |
| Boiling Point | 147 °C @ Press: 9 Torr | CAS Common Chemistry |
| 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 | RDKit |
